{"atc_classifications": [], "availability_type": -1, "biotherapeutic": {"biocomponents": [], "description": "MELITTIN", "helm_notation": "PEPTIDE1{G.I.G.A.V.L.K.V.L.T.T.G.L.P.A.L.I.S.W.I.K.R.K.R.Q.Q.[am]}$$$$", "molecule_chembl_id": "CHEMBL412927"}, "black_box_warning": 0, "chemical_probe": 0, "chirality": -1, "cross_references": [], "dosed_ingredient": false, "first_approval": null, "first_in_class": -1, "helm_notation": "PEPTIDE1{G.I.G.A.V.L.K.V.L.T.T.G.L.P.A.L.I.S.W.I.K.R.K.R.Q.Q.[am]}$$$$", "inorganic_flag": -1, "max_phase": null, "molecule_chembl_id": "CHEMBL412927", "molecule_hierarchy": {"active_chembl_id": "CHEMBL412927", "molecule_chembl_id": "CHEMBL412927", "parent_chembl_id": "CHEMBL412927"}, "molecule_properties": {"alogp": null, "aromatic_rings": null, "full_molformula": "C131H229N39O31", "full_mwt": "2846.51", "hba": null, "hbd": null, "heavy_atoms": null, "mw_freebase": "2846.51", "np_likeness_score": null, "num_ro5_violations": null, "psa": null, "qed_weighted": null, 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0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5197 -9.9717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5187 -9.1453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2301 -8.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9482 -9.9664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9482 -9.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2301 -7.9029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9482 -7.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5187 -7.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5187 -6.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6673 -8.7292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3777 -9.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0966 -7.9006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0966 -8.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3777 -9.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0966 -10.3771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8072 -9.1426 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5261 -8.7269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2366 -9.9637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2366 -9.1376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 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0 0 0 0 0 0 0 0 0 0\n 17.5296 -9.9563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.5296 -9.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.8146 -7.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.5296 -7.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.5296 -6.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.2431 -6.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.2431 -5.4132 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 20.3927 -11.6042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 20.3927 -12.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.6777 -12.8408 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 21.1072 -12.8412 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 18.2441 -8.7192 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 18.9622 -9.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.6736 -7.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 19.6736 -8.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.9622 -9.9560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.6736 -10.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.6736 -11.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.3917 -9.1295 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 21.1062 -8.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.8211 -9.9535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 21.8211 -9.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.1062 -7.8870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.8211 -7.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.8211 -6.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.5316 -6.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.5316 -5.4105 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 24.6841 -11.6014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 24.6841 -12.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.9660 -12.8382 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 25.4032 -12.8385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 22.5402 -8.7134 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 23.2506 -9.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.9697 -7.8847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 23.9697 -8.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.2506 -9.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.9697 -10.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.9697 -11.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.6801 -9.1267 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 25.3992 -8.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.1126 -9.9509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 26.1126 -9.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.3992 -7.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.1126 -7.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.1126 -6.6452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.8277 -6.2269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 25.3982 -6.2296 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 26.8287 -8.7061 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 27.5421 -9.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 28.2612 -7.8773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 28.2612 -8.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 27.5421 -9.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 28.2612 -10.3616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 28.2612 -11.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 28.9726 -11.5987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 27.5431 -11.5937 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 28.9763 -9.1195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5383 -9.5808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -22.5143 -8.7435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9454 -8.3190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3614 -9.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 4 5 1 0\n 8 13 1 0\n 16 17 1 0\n 21 22 1 0\n 25 29 1 0\n 32 37 1 0\n 40 46 1 0\n 49 53 1 0\n 56 61 1 0\n 64 68 1 0\n 71 75 1 0\n 78 79 1 0\n 82 87 1 0\n 90 94 1 0\n 98 99 1 0\n102107 1 0\n110115 1 0\n118121 1 0\n124135 1 0\n138143 1 0\n146156 1 0\n159163 1 0\n166176 1 0\n179183 1 0\n186192 1 0\n195201 1 0\n 1 2 1 0\n 2 4 1 0\n 4 3 2 0\n 5 6 1 0\n 6 8 1 0\n 8 7 2 0\n 6 9 1 0\n 9 10 1 1\n 9 11 1 0\n 11 12 1 0\n 13 14 1 0\n 14 16 1 0\n 16 15 2 0\n 17 18 1 0\n 18 21 1 0\n 21 19 2 0\n 18 20 1 6\n 22 23 1 0\n 23 25 1 0\n 25 24 2 0\n 23 26 1 1\n 26 27 1 0\n 26 28 1 0\n 29 30 1 0\n 30 32 1 0\n 32 31 2 0\n 30 33 1 6\n 33 34 1 0\n 34 35 1 0\n 34 36 1 0\n 37 38 1 0\n 38 40 1 0\n 40 39 2 0\n 38 41 1 1\n 41 42 1 0\n 42 43 1 0\n 43 44 1 0\n 44 45 1 0\n 46 47 1 0\n 47 49 1 0\n 49 48 2 0\n 47 50 1 6\n 50 51 1 0\n 50 52 1 0\n 53 54 1 0\n 54 56 1 0\n 56 55 2 0\n 54 57 1 1\n 57 58 1 0\n 58 59 1 0\n 58 60 1 0\n 62 61 1 6\n 62 64 1 0\n 64 63 2 0\n 62 65 1 0\n 65 66 1 6\n 65 67 1 0\n 69 68 1 1\n 69 71 1 0\n 71 70 2 0\n 69 72 1 0\n 72 73 1 1\n 72 74 1 0\n 75 76 1 0\n 76 78 1 0\n 78 77 2 0\n 79 80 1 0\n 80 82 1 0\n 82 81 2 0\n 80 83 1 1\n 83 84 1 0\n 84 85 1 0\n 84 86 1 0\n 87 88 1 0\n 88 90 1 0\n 90 89 2 0\n 88 91 1 0\n 92 93 1 0\n 93 91 1 0\n 92 87 1 0\n 94 95 1 0\n 95 98 1 0\n 98 96 2 0\n 95 97 1 1\n 99100 1 0\n100102 1 0\n102101 2 0\n100103 1 6\n103104 1 0\n104105 1 0\n104106 1 0\n107108 1 0\n108110 1 0\n110109 2 0\n108111 1 0\n111112 1 6\n111113 1 0\n113114 1 0\n115116 1 0\n116118 1 0\n118117 2 0\n116119 1 6\n119120 1 0\n121122 1 0\n122124 1 0\n124123 2 0\n122125 1 1\n125127 1 0\n126127 2 0\n127129 1 0\n128126 1 0\n130128 1 0\n129130 2 0\n130131 1 0\n131132 2 0\n132133 1 0\n133134 2 0\n134129 1 0\n135136 1 0\n136138 1 0\n138137 2 0\n136139 1 0\n139140 1 1\n139141 1 0\n141142 1 0\n143144 1 0\n144146 1 0\n146145 2 0\n144147 1 1\n147148 1 0\n148149 1 0\n149150 1 0\n150151 1 0\n152153 1 0\n153154 1 0\n153155 2 0\n156157 1 0\n157159 1 0\n159158 2 0\n157160 1 6\n160161 1 0\n161162 1 0\n162152 1 0\n163164 1 0\n164166 1 0\n166165 2 0\n164167 1 1\n167168 1 0\n168169 1 0\n169170 1 0\n170171 1 0\n172173 1 0\n173174 1 0\n173175 2 0\n176177 1 0\n177179 1 0\n179178 2 0\n177180 1 6\n180181 1 0\n181182 1 0\n182172 1 0\n183184 1 0\n184186 1 0\n186185 2 0\n184187 1 1\n187188 1 0\n188189 1 0\n189190 2 0\n189191 1 0\n192193 1 0\n193195 1 0\n195194 2 0\n193196 1 6\n196197 1 0\n197198 1 0\n198199 2 0\n198200 1 0\n 88202 1 1\n 6203 1 1\n108204 1 6\n136205 1 1\nM END\n> \nCHEMBL412927\n\n> \nMELITTIN", "standard_inchi": "InChI=1S/C131H229N39O31/c1-23-71(16)102(163-97(176)60-135)122(194)146-62-98(177)148-74(19)109(181)164-100(69(12)13)124(196)160-88(55-65(4)5)116(188)155-84(41-30-33-51-134)115(187)165-101(70(14)15)125(197)161-90(57-67(8)9)118(190)168-106(77(22)173)128(200)169-105(76(21)172)123(195)147-63-99(178)150-92(58-68(10)11)129(201)170-54-36-44-94(170)121(193)149-75(20)108(180)158-89(56-66(6)7)117(189)166-104(73(18)25-3)127(199)162-93(64-171)120(192)159-91(59-78-61-145-80-38-27-26-37-79(78)80)119(191)167-103(72(17)24-2)126(198)157-83(40-29-32-50-133)111(183)154-85(42-34-52-143-130(139)140)112(184)152-82(39-28-31-49-132)110(182)153-86(43-35-53-144-131(141)142)113(185)156-87(46-48-96(137)175)114(186)151-81(107(138)179)45-47-95(136)174/h26-27,37-38,61,65-77,81-94,100-106,145,171-173H,23-25,28-36,39-60,62-64,132-135H2,1-22H3,(H2,136,174)(H2,137,175)(H2,138,179)(H,146,194)(H,147,195)(H,148,177)(H,149,193)(H,150,178)(H,151,186)(H,152,184)(H,153,182)(H,154,183)(H,155,188)(H,156,185)(H,157,198)(H,158,180)(H,159,192)(H,160,196)(H,161,197)(H,162,199)(H,163,176)(H,164,181)(H,165,187)(H,166,189)(H,167,191)(H,168,190)(H,169,200)(H4,139,140,143)(H4,141,142,144)/t71-,72-,73-,74-,75-,76+,77+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,100-,101-,102-,103-,104-,105-,106-/m0/s1", "standard_inchi_key": "VDXZNPDIRNWWCW-JFTDCZMZSA-N"}, "molecule_synonyms": [], "molecule_type": "Protein", "natural_product": 1, "oral": false, "orphan": -1, "parenteral": false, "polymer_flag": 0, "pref_name": "MELITTIN", "prodrug": -1, "structure_type": "BOTH", "therapeutic_flag": false, "topical": false, "usan_stem": null, "usan_stem_definition": null, "usan_substem": null, "usan_year": null, "veterinary": -1, "withdrawn_flag": false}