{"atc_classifications": ["A10BX05"], "availability_type": 1, "biotherapeutic": {"biocomponents": [{"component_id": 27973, "component_type": "Protein", "description": "Sequence", "organism": null, "sequence": "YTNSGVNTPPLIPGFNNSSHVLFNALRQTACTATNCK", "tax_id": null}], "description": "PRAMLINTIDE", "helm_notation": "PEPTIDE1{K.C.N.T.A.T.C.A.T.Q.R.L.A.N.F.L.V.H.S.S.N.N.F.G.P.I.L.P.P.T.N.V.G.S.N.T.Y.[am]}$PEPTIDE1,PEPTIDE1,7:R3-2:R3$$$", "molecule_chembl_id": "CHEMBL2103758"}, "black_box_warning": 1, "chemical_probe": 0, "chirality": 1, "cross_references": [], "dosed_ingredient": false, "first_approval": 2005, "first_in_class": 0, "helm_notation": "PEPTIDE1{K.C.N.T.A.T.C.A.T.Q.R.L.A.N.F.L.V.H.S.S.N.N.F.G.P.I.L.P.P.T.N.V.G.S.N.T.Y.[am]}$PEPTIDE1,PEPTIDE1,7:R3-2:R3$$$", "inorganic_flag": 0, "max_phase": "4.0", "molecule_chembl_id": "CHEMBL2103758", "molecule_hierarchy": {"active_chembl_id": "CHEMBL2103758", "molecule_chembl_id": "CHEMBL2103758", "parent_chembl_id": "CHEMBL2103758"}, "molecule_properties": {"alogp": null, "aromatic_rings": null, "full_molformula": "C171H267N51O53S2", "full_mwt": "3949.45", "hba": null, "hbd": null, "heavy_atoms": null, "mw_freebase": "3949.45", "np_likeness_score": null, "num_ro5_violations": null, "psa": null, "qed_weighted": null, "ro3_pass": null, "rtb": null}, "molecule_structures": {"canonical_smiles": "CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O", "molfile": "\n RDKit 2D\n\n279286 0 0 1 0 0 0 0 0999 V2000\n 11.0167 -6.8667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5250 -8.0292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8750 -7.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3500 -10.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7042 -9.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8167 -11.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6917 -9.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1625 -8.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2917 -10.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5792 -7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9625 -3.6875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1542 -8.2917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0167 -9.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.5208 -7.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4500 -15.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1417 -10.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8667 -15.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.5083 -7.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8667 -9.2167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4375 -9.3792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3500 -10.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7625 -11.0375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3042 -8.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3375 -8.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5667 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6167 -6.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8792 -15.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0042 -8.2792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2375 -10.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3167 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5292 1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6875 -5.2917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6250 -7.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4667 1.8083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8250 -11.1625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3125 -8.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0917 -8.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8750 -9.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7292 -14.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1667 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4125 -11.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2167 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1750 -13.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4792 1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0000 -7.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7167 -8.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5375 -7.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5875 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.5958 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3417 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8000 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.5708 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.0375 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0167 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8792 -6.5042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8292 -8.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4958 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.5833 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.0208 -4.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6917 1.1625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1167 0.8625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7250 -10.3417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2167 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6417 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4292 -15.7417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0542 2.0833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3542 -8.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4292 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7500 -14.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7417 -0.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8042 -0.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.0333 -7.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1083 -1.5792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7625 -13.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.6208 -0.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0458 0.2833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2167 -5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.5458 -4.3292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0042 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8667 -1.8542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8667 -10.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1542 -14.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1208 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2667 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3292 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5750 -7.9875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.0500 -2.7917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4833 -5.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5875 1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4000 -10.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4042 -11.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2667 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4417 -11.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6583 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0000 -13.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8542 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8125 -11.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3875 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6167 3.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0500 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.0958 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.5583 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8625 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8375 -15.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2375 -10.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.6500 -5.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1792 -13.4542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6792 -15.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1167 2.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.0250 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1167 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9292 -9.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4042 -13.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3875 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8000 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1833 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5792 -11.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3792 -3.3792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0542 -12.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3792 -11.8625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0542 -8.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8167 3.6333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.5833 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.0125 -5.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4292 3.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1417 -7.0542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2542 -8.3542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4792 -7.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.0958 -7.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.6500 -6.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6375 -9.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2917 -10.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7042 -7.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9042 -3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7000 -10.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0167 -7.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7167 -14.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7500 -8.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9875 -4.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5167 1.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8375 -6.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8167 -9.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8167 -9.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7625 -9.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6292 3.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0917 -8.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6917 -0.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0000 -13.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1667 0.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1417 -14.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5375 -11.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0042 0.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5417 -7.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.5083 -3.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8167 -1.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.0625 -0.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.5583 -0.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0542 0.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3167 0.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5500 -7.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4958 -4.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0292 -6.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.0500 -1.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3542 -8.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4125 -16.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.1083 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6167 -7.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3292 -2.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7750 -8.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4417 -2.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6500 -10.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9167 -2.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2167 -8.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8167 -11.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1042 -14.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.0958 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.5833 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.0500 -8.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4667 -9.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6000 -16.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.1625 -11.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2417 -12.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9167 -0.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7917 1.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7125 -0.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4542 -10.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4792 -12.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.5708 -7.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8875 -8.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.5583 -6.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1250 -5.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5042 -12.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1833 -5.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0875 -14.8500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9125 -8.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9542 -6.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0167 2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6417 -5.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9750 -13.7375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3250 0.8625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1625 -1.5917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3917 -1.5417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9250 -9.2125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1375 -12.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5542 -12.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.0833 -6.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6250 -7.3292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8167 -15.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5167 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6417 -15.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4125 -8.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.6375 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3250 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9250 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6417 1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7500 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9375 -14.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6542 -15.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3917 -16.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8292 -5.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8000 -16.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0667 -15.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2875 -11.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2125 -8.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2292 -8.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.5708 -7.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1667 -16.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0417 -9.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6167 -4.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0542 -15.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1667 2.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7500 1.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5167 -14.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5125 -6.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7292 -8.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9250 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6792 -8.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6208 -3.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.5958 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7042 -11.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.5458 -5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1083 -2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0417 -8.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5958 -5.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8875 -7.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8292 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5375 -4.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3417 -11.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7500 -9.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1875 -16.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3417 -8.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.0583 -8.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5042 3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1292 -12.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1417 -12.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5542 3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1792 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1583 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7917 -3.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8500 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.6500 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.0708 -5.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3625 -6.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3625 -7.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6083 -4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0708 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2292 -8.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2542 -8.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.1250 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1500 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9625 -4.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1833 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6958 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8500 -4.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7875 -4.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3167 -4.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7083 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5660 -9.6896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6769 -11.5517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0\n 26 3 1 1\n 4 21 1 0\n 5 7 1 0\n 6 9 1 0\n 7 8 1 0\n 8 12 1 0\n 9 22 1 0\n 10 1 1 0\n 11 54 1 0\n 12 33 1 0\n 13 20 1 1\n 14 18 1 0\n 15 27 1 1\n 16 13 1 0\n 17 15 1 0\n 18 72 1 0\n 19 24 1 0\n 20 23 1 0\n 21 38 1 0\n 22105 1 0\n 46 23 1 6\n 24 36 1 0\n 25 32 1 0\n 26 1 1 0\n 27 39 1 0\n 14 28 1 1\n 29 5 1 0\n 30 55 1 0\n 31 66 1 0\n 77 32 1 6\n 33 37 1 6\n 79 34 1 1\n 35 41 1 0\n 36169 1 0\n 37 86 1 0\n 38 19 1 0\n 39 82 1 0\n 40 60 1 0\n 41 81 1 0\n 42 70 1 0\n 43 74 1 0\n 44 34 1 0\n 45 10 1 0\n 46 2 1 0\n 47 28 1 0\n 48 61 1 0\n 49 75 1 0\n 50 80 1 0\n 51 71 1 0\n 52 76 1 0\n 53 87 1 0\n 54 25 1 1\n 45 55 1 6\n 36 56 1 6\n 57 88 1 0\n 58 73 1 0\n 59 78 1 0\n 63 60 1 1\n 64 61 1 1\n 62 16 1 0\n 63 42 1 0\n 64 40 1 0\n 65 17 1 0\n 89 66 1 1\n 67 56 1 0\n 68 11 1 0\n 69 43 1 0\n 84 70 1 1\n 85 71 1 1\n110 72 1 1\n 83 73 1 1\n 74107 1 1\n101 75 1 1\n100 76 1 1\n 77 30 1 0\n102 78 1 1\n 79 31 1 0\n103 80 1 6\n 81 62 1 1\n 82 69 1 6\n 83 49 1 0\n 84 51 1 0\n 85 50 1 0\n 86121 1 0\n 87123 1 0\n124 88 1 1\n 89 48 1 0\n 38 90 1 1\n 91 35 1 1\n 84 92 1 0\n 81 93 1 0\n 83 94 1 0\n 82 95 1 0\n 85 96 1 0\n 97 91 1 0\n 98118 1 0\n 99109 1 0\n100 44 1 0\n101 52 1 0\n102 53 1 0\n103 98 1 0\n104 65 1 1\n105 29 1 0\n106191 1 0\n107119 1 0\n108104 1 0\n109111 1 0\n110 57 1 0\n 89111 1 0\n112 90 1 0\n113 95 1 0\n114 96 1 0\n115 92 1 0\n116 94 1 0\n117 93 1 0\n118134 1 0\n119192 1 0\n120 97 1 0\n121 47 1 0\n122145 1 0\n123 58 1 0\n124 59 1 0\n125 99 2 0\n126167 1 0\n127126 1 0\n128 3 2 0\n129206 1 0\n130106 2 0\n131 8 2 0\n132 9 2 0\n133 10 2 0\n134 68 1 0\n135 16 2 0\n136 18 2 0\n137 17 2 0\n138 23 2 0\n139 25 2 0\n140 31 2 0\n141 30 2 0\n142 24 2 0\n143 21 2 0\n144 29 2 0\n145109 2 0\n146 37 2 0\n147 42 2 0\n148 43 2 0\n149 40 2 0\n150 39 2 0\n151 41 2 0\n152 44 2 0\n153 47 2 0\n154 53 2 0\n155 50 2 0\n156 49 2 0\n157 52 2 0\n158 48 2 0\n159 51 2 0\n 45160 1 0\n161 59 2 0\n162 57 2 0\n163 58 2 0\n164 67 2 0\n104165 1 0\n101166 1 0\n 33167 1 0\n103168 1 0\n169127 1 0\n170 68 2 0\n171 97 2 0\n172 98 2 0\n 7173 1 0\n174 6 1 0\n175108 2 0\n102176 1 0\n100177 1 0\n178 14 1 0\n 13179 1 0\n 15180 1 0\n181117 2 0\n182113 2 0\n183114 2 0\n184115 2 0\n185116 2 0\n186112 2 0\n187119 2 0\n188129 2 0\n189 67 1 0\n110190 1 0\n191244 1 0\n192120 1 0\n193106 1 0\n194108 1 0\n195 2 1 0\n196 1 1 0\n 79197 1 0\n198 77 1 0\n199113 1 0\n200115 1 0\n201116 1 0\n202114 1 0\n203112 1 0\n204117 1 0\n 91205 1 0\n206190 1 0\n207129 1 0\n208165 1 0\n209 11 1 0\n210221 1 0\n189211 1 6\n212166 1 0\n213168 1 0\n 26214 1 0\n 64215 1 0\n 63216 1 0\n 74217 1 0\n218208 2 0\n219208 1 0\n220246 1 0\n221219 2 0\n222218 1 0\n174223 1 1\n173224 1 6\n 46225 1 0\n178226 1 1\n180227 1 1\n179228 1 1\n 54229 1 0\n230210 1 0\n231215 1 0\n232216 1 0\n233217 1 0\n234196 1 0\n235195 1 0\n236229 1 0\n237160 1 0\n238176 1 0\n239177 1 0\n105240 1 1\n124241 1 0\n123242 1 1\n121243 1 1\n244262 1 0\n189245 1 0\n246263 1 0\n247198 1 0\n248174 1 0\n249173 1 0\n250180 1 0\n251179 1 0\n252178 1 0\n253197 1 0\n254205 1 0\n255205 1 0\n256197 1 0\n198257 1 1\n258212 2 0\n259213 1 0\n260213 2 0\n261212 1 0\n262241 1 0\n263264 1 0\n264245 1 0\n265238 1 0\n266239 1 0\n267237 1 0\n268237 1 0\n269239 1 0\n270238 1 0\n271247 1 0\n272261 2 0\n273258 1 0\n274260 1 0\n275259 2 0\n276274 2 0\n277272 1 0\n214234 1 0\n225235 1 0\n209236 1 0\n275276 1 0\n222210 2 0\n122125 1 0\n273277 2 0\n 6 4 1 0\n 7278 1 1\n 6279 1 6\nM END\n> \nCHEMBL2103758\n\n> \nPRAMLINTIDE", "standard_inchi": "InChI=1S/C171H267N51O53S2/c1-21-81(12)130(163(268)207-110(56-78(6)7)169(274)222-53-33-42-118(222)170(275)221-52-32-41-117(221)160(265)219-135(89(20)230)167(272)206-109(66-125(180)238)151(256)212-128(79(8)9)161(266)186-68-126(239)192-111(70-223)154(259)203-107(64-123(178)236)152(257)218-134(88(19)229)166(271)195-98(136(181)241)57-92-43-45-94(231)46-44-92)214-159(264)116-40-31-51-220(116)127(240)69-187-141(246)101(58-90-34-24-22-25-35-90)199-148(253)105(62-121(176)234)201-149(254)106(63-122(177)235)202-155(260)112(71-224)209-156(261)113(72-225)208-146(251)103(60-93-67-184-75-188-93)205-162(267)129(80(10)11)213-150(255)100(55-77(4)5)198-145(250)102(59-91-36-26-23-27-37-91)200-147(252)104(61-120(175)233)196-137(242)82(13)189-144(249)99(54-76(2)3)197-142(247)96(39-30-50-185-171(182)183)193-143(248)97(47-48-119(174)232)194-165(270)132(86(17)227)215-138(243)83(14)190-157(262)114-73-276-277-74-115(210-140(245)95(173)38-28-29-49-172)158(263)204-108(65-124(179)237)153(258)217-131(85(16)226)164(269)191-84(15)139(244)216-133(87(18)228)168(273)211-114/h22-27,34-37,43-46,67,75-89,95-118,128-135,223-231H,21,28-33,38-42,47-66,68-74,172-173H2,1-20H3,(H2,174,232)(H2,175,233)(H2,176,234)(H2,177,235)(H2,178,236)(H2,179,237)(H2,180,238)(H2,181,241)(H,184,188)(H,186,266)(H,187,246)(H,189,249)(H,190,262)(H,191,269)(H,192,239)(H,193,248)(H,194,270)(H,195,271)(H,196,242)(H,197,247)(H,198,250)(H,199,253)(H,200,252)(H,201,254)(H,202,260)(H,203,259)(H,204,263)(H,205,267)(H,206,272)(H,207,268)(H,208,251)(H,209,261)(H,210,245)(H,211,273)(H,212,256)(H,213,255)(H,214,264)(H,215,243)(H,216,244)(H,217,258)(H,218,257)(H,219,265)(H4,182,183,185)/t81-,82-,83-,84-,85+,86+,87+,88+,89+,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,128-,129-,130-,131-,132-,133-,134-,135-/m0/s1", "standard_inchi_key": "TZIRZGBAFTZREM-MKAGXXMWSA-N"}, "molecule_synonyms": [{"molecule_synonym": "AC-0137", "syn_type": "RESEARCH_CODE", "synonyms": "AC-0137"}, {"molecule_synonym": "AC0137", "syn_type": "RESEARCH_CODE", "synonyms": "AC0137"}, {"molecule_synonym": "AC-137", "syn_type": "RESEARCH_CODE", "synonyms": "AC-137"}, {"molecule_synonym": "AC137", "syn_type": "RESEARCH_CODE", "synonyms": "AC137"}, {"molecule_synonym": "Pramlintida", "syn_type": "INN_SPANISH", "synonyms": "PRAMLINTIDA"}, {"molecule_synonym": "Pramlintide", "syn_type": "ATC", "synonyms": "PRAMLINTIDE"}, {"molecule_synonym": "Pramlintide", "syn_type": "BAN", "synonyms": "PRAMLINTIDE"}, {"molecule_synonym": "Pramlintide", "syn_type": "INN", "synonyms": "PRAMLINTIDE"}, {"molecule_synonym": "Pramlintide", "syn_type": "MERCK_INDEX", "synonyms": "PRAMLINTIDE"}, {"molecule_synonym": "Pramlintide", "syn_type": "OTHER", "synonyms": "PRAMLINTIDE"}, {"molecule_synonym": "Pramlintide", "syn_type": "USAN", "synonyms": "PRAMLINTIDE"}, {"molecule_synonym": "Tripro-amylin", "syn_type": "OTHER", "synonyms": "TRIPRO-AMYLIN"}], "molecule_type": "Protein", "natural_product": 0, "oral": false, "orphan": 0, "parenteral": true, "polymer_flag": 0, "pref_name": "PRAMLINTIDE", "prodrug": 0, "structure_type": "BOTH", "therapeutic_flag": true, "topical": false, "usan_stem": "-tide", "usan_stem_definition": "peptides: amylin derivatives or mimics", "usan_substem": "-tide (-lintide)", "usan_year": 1996, "veterinary": 0, "withdrawn_flag": false}