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Download zip file with the complete ligand collection (idealised coordinates & explicit hydrogen atoms) in:
SDF CML PDB mmCif
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600
sdf - cml - pdb - cif
6 - [4 - ( (2S) -2 - (1H -1,2,3 -BENZOTRIAZOL -1 -YL) -3 -{4 - [DIFLUORO (PHOSPHONO) METHYL] PHENYL} -2 -PHENYLPROPYL) PHENYL] -2 - [ (1S) -1 -METHOXY -3 -METHYLBUTYL] QUINOLIN -8 -YLPHOSPHONIC ACID

606
sdf - cml - pdb - cif
(2S) -2 - (3 -{ [AMINO (IMINO) METHYL] AMINO}PHENYL) -3 - [ (S) -HYDROXY (3 -PHENYLPROPYL) PHOSPHORYL] PROPANOIC ACID

607
sdf - cml - pdb - cif
2 - (2' -AMINO -5 -{5 - [AMINO (IMINIO) METHYL] -1H -BENZIMIDAZOL -2 -YL} -6 -OXIDO -1,1' -BIPHENYL -3 -YL) SUCCINATE

608
sdf - cml - pdb - cif
N - (4 -phenoxyphenyl) -2 - [ (pyridin -4 -ylmethyl) amino] nicotinamide

612
sdf - cml - pdb - cif
6 -CYCLOHEXYLTHIO -1 -ETHOXYMETHYL -5 -ISOPROPYLURACIL

616
sdf - cml - pdb - cif
N - [2 - (1 -FORMYL -2 -METHYL -PROPYL) -1 - (4 -PIPERIDIN -1 -YL -BUT -2 -ENOYL) -PYRROLIDIN -3 -YL] -METHANESULFONAMIDE

617
sdf - cml - pdb - cif
2 -{ [ (4 -CHLOROPHENOXY) ACETYL] AMINO}BENZOIC ACID

618
sdf - cml - pdb - cif
(3R,6R,9AR) -2,2 -DIMETHYL -6 - [ (N -METHYL -L -ALANYL) AMINO] -N - (3 -METHYL -1 -PHENYL -1H -PYRAZOL -5 -YL) -5 -OXO -2,3,5,6,9,9A -HEXAHYDRO [1,3] THIAZOLO [3,2 -A] AZEPINE -3 -CARBOXAMIDE

61E
sdf - cml - pdb - cif
4 - (2 -chlorophenyl) -8 - [3 - (dimethylamino) propoxy] -9 -hydroxy -6 -methylpyrrolo [3,4 -c] carbazole -1,3 (2H,6H) -dione

623
sdf - cml - pdb - cif
3,3' - [3,5 -DIFLUORO -4 -METHYL -2,6 -PYRIDYLENEBIS (OXY) ] -BIS (BENZENECARBOXIMIDAMIDE)

624
sdf - cml - pdb - cif
2 - (2 - (3,4 -DICHLOROPHENYL) -5 - (ISOPROPYLAMINO) -6 -OXOPYRIMIDIN -1 (6H) -YL) -N - ( (S) -1 -OXO -1 - (THIAZOL -2 -YL) -5 -GUANIDINOPENTAN -2 -YL) ACETAMIDE

626
sdf - cml - pdb - cif
4 - (4 -METHYLPIPERAZIN -1 -YL) -N - [5 - (2 -THIENYLACETYL) -1,5 -DIHYDROPYRROLO [3,4 -C] PYRAZOL -3 -YL] BENZAMIDE

627
sdf - cml - pdb - cif
N - [ (3E) -5 - [ (2R) -2 -METHOXY -2 -PHENYLACETYL] PYRROLO [3,4 -C] PYRAZOL -3 (5H) -YLIDENE] -4 - (4 -METHYLPIPERAZIN -1 -YL) BENZAMIDE

628
sdf - cml - pdb - cif
4 -{ [6 - (2,6 -DICHLOROBENZOYL) IMIDAZO [1,2 -A] PYRIDIN -2 -YL] AMINO}BENZENESULFONAMIDE

629
sdf - cml - pdb - cif
[2 -AMINO -3 - (4 -HYDROXY -PHENYL) -PROPIONYLAMINO] - (1,3,4,5 -TETRAHYDROXY -4 -HYDROXYMETHYL -PIPERIDIN -2 -YL) - ACETIC ACID

62A
sdf - cml - pdb - cif
2 - (5 -AMINO -6 -OXO -2 -M -TOLYL -6H -PYRIMIDIN -1 -YL) -N - [4 -GUANIDINO -1 - (THIAZOLE -2 -CARBONYL) -BUTYL] -ACETAMIDE

62P
sdf - cml - pdb - cif
6 - [ (5 -CHLORO -3 -METHYL -1 -BENZOFURAN -2 -YL) SULFONYL] PYRIDAZIN -3 (2H) -ONE

632
sdf - cml - pdb - cif
2 - (5 -BENZYLAMINO -2 -METHYLSULFANYL -6 -OXO -6H -PYRIMIDIN -1 -YL) -N - [4 -GUANIDINO -1 - (THIAZOLE -2 -CARBONYL) -BUTYL] -ACETAMIDE

638
sdf - cml - pdb - cif
[4R - (4ALPHA,5ALPHA,6BETA,7BETA) ] -3,3' - [ [TETRAHYDRO -5,6 -DIHYDROXY -2 -OXO -4,7 -BIS (PHENYLMETHYL) -1H -1,3 -DIAZEPINE -1,3 (2H) -DIYL] BIS (METHYLENE) ] BIS [N -2 -THIAZOLYLBENZAMIDE]

641
sdf - cml - pdb - cif
(3S) -1 -CYCLOHEXYL -N - (3,5 -DICHLOROPHENYL) -5 -OXOPYRROLIDINE -3 -CARBOXAMIDE

645
sdf - cml - pdb - cif
[1 -TERT -BUTYL -3 - (2,4 -DICHLOROPHENYL) -5 -HYDROXY -1H -PYRAZOL -4 -YL] [2 -CHLORO -4 - (METHYLSULFONYL) PHENYL] METHANONE

64T
sdf - cml - pdb - cif
5 -HYDROXY -THYMIDINE -5' -MONOPHOSPHATE

653
sdf - cml - pdb - cif
5 - (2 -AMINOETHYL) -3 -{5 - [AMINO (IMINIO) METHYL] -1H -BENZIMIDAZOL -2 -YL} -1,1' -BIPHENYL -2 -OLATE

654
sdf - cml - pdb - cif
4 - (2 -THIENYL) -1 - (4 -METHYLBENZYL) -1H -IMIDAZOLE

655
sdf - cml - pdb - cif
2 -{5 - [AMINO (IMINIO) METHYL] -1H -BENZIMIDAZOL -2 -YL} -6 - (CYCLOPENTYLOXY) BENZENOLATE

656
sdf - cml - pdb - cif
2 -{5 - [AMINO (IMINIO) METHYL] -1H -BENZIMIDAZOL -2 -YL} -6 -ISOBUTOXYBENZENOLATE

65B
sdf - cml - pdb - cif
4 - ({6 -AMINO -5 -BROMO -2 - [ (4 -CYANOPHENYL) AMINO] PYRIMIDIN -4 -YL}OXY) -3,5 -DIMETHYLBENZONITRILE

663
sdf - cml - pdb - cif
3 -CHLORO -N - (4 -CHLORO -2 -{ [ (5 -CHLOROPYRIDIN -2 -YL) AMINO] CARBONYL} -6 -METHOXYPHENYL) -4 - [ (1 -METHYL -1H -IMIDAZOL -2 -YL) METHYL] THIOPHENE -2 -CARBOXAMIDE

665
sdf - cml - pdb - cif
(3S) -N - (3 -BROMOPHENYL) -1 -CYCLOHEXYL -5 -OXOPYRROLIDINE -3 -CARBOXAMIDE

666
sdf - cml - pdb - cif
6 - (4 -{ [2 - (3 -IODOBENZYL) -3 -OXOCYCLOHEX -1 -EN -1 -YL] AMINO}PHENYL) -5 -METHYL -4,5 -DIHYDROPYRIDAZIN -3 (2H) -ONE

667
sdf - cml - pdb - cif
6 -OXO -8,9,10,11 -TETRAHYDRO -7H -CYCLOHEPTA [C] [1] BENZOPYRAN -3 -O -SULFAMATE

669
sdf - cml - pdb - cif
1 - (5 -CARBOXYPENTYL) -5 - (2,6 -DICHLOROBENZYLOXY) -1H -INDOLE -2 -CARBOXYLIC ACID

672
sdf - cml - pdb - cif
(S) -4 - (4 - (3 - (3 -CARBAMIMIDOYLPHENYL) -2 - (2,4,6 -TRIISOPROPYLPHENYLSULFONAMIDO) PROPANOYL) PIPERAZINE -1 -CARBONYL) PIPERIDINE -1 -CARBOXIMIDAMIDE

675
sdf - cml - pdb - cif
6 - [ (Z) -AMINO (IMINO) METHYL] -N -PHENYL -2 -NAPHTHAMIDE

678
sdf - cml - pdb - cif
(3 -{5 - [AMINO (IMINIO) METHYL] -1H -INDOL -2 -YL} -5 -BROMO -4 -OXIDOPHENYL) ACETATE

679
sdf - cml - pdb - cif
2 -CHLORO -5 - [4 - (3 -CHLORO -PHENYL) -2,5 -DIOXO -2,5 -DIHYDRO -1H -PYRROL -3 -YLAMINO] -BENZOIC ACID

680
sdf - cml - pdb - cif
6 -METHYLAMINO -5 -NITROISOCYTOSINE

681
sdf - cml - pdb - cif
2 - (5 -AMINO -6 -OXO -2 -PHENYL -6H -PYRIMIDIN -1 -YL) -N - [2 - (5 -TERT -BUTYL -1,3,4 -OXADIAZOL -2 -YL) -1 - (METHYLETHYL) -2 -HYDROXYETHYL] ACETAMIDE

682
sdf - cml - pdb - cif
N~2~ - (AMINOCARBONYL) -N~1~ -{4 -{ [AMINO (IMINO) METHYL] AMINO} -1 - [HYDROXY (1,3 -THIAZOL -2 -YL) METHYL] BUTYL}VALINAMIDE

687
sdf - cml - pdb - cif
N -ACETYL -N - [1 - (1,1' -BIPHENYL -4 -YLMETHYL) -2 -OXOAZEPAN -3 -YL] -3 -FORMYL -O -PHOSPHONOTYROSINAMIDE

688
sdf - cml - pdb - cif
2 - [AMINO (IMINO) METHYL] -2 -HYDROXYPHENOXY] -6 - [3 - (4,5 -DIHYDRO -1H -IMIDAZOL -2 -YL) PHENOXY] PYRIDINE -4 -CARBOXYLIC ACID

689
sdf - cml - pdb - cif
4 - [ (1S,2S,5S) -5 - (HYDROXYMETHYL) -6,8,9 -TRIMETHYL -3 -OXABICYCLO [3.3.1] NON -7 -EN -2 -YL] PHENOL

693
sdf - cml - pdb - cif
2 - (5 -{5 - [AMINO (IMINIO) METHYL] -1H -BENZIMIDAZOL -2 -YL} -2' -FLUORO -6 -OXIDO -1,1' -BIPHENYL -3 -YL) SUCCINATE

694
sdf - cml - pdb - cif
4 -BROMO -3 - (CARBOXYMETHOXY) -5 - (4 -HYDROXYPHENYL) THIOPHENE -2 -CARBOXYLIC ACID

696
sdf - cml - pdb - cif
3 -{5 - [AMINO (IMINIO) METHYL] -1H -INDOL -2 -YL} -1,1' -BIPHENYL -2 -OLATE

697
sdf - cml - pdb - cif
5 -HYDROXY -2 - (4 -HYDROXYPHENYL) -1 -BENZOFURAN -7 -CARBONITRILE

698
sdf - cml - pdb - cif
(2S,4S,5R) -1 - (4 -TERT -BUTYLBENZOYL) -2 -ISOBUTYL -5 - (1,3 -THIAZOL -2 -YL) PYRROLIDINE -2,4 -DICARBOXYLIC ACID

699
sdf - cml - pdb - cif
(2S,4S,5R) -2 -ISOBUTYL -5 - (2 -THIENYL) -1 - [4 - (TRIFLUOROMETHYL) BENZOYL] PYRROLIDINE -2,4 -DICARBOXYLIC ACID

6AB
sdf - cml - pdb - cif
6 -AMINOBENZOIC ACID

6AP
sdf - cml - pdb - cif
9H -PURINE -2,6 -DIAMINE

6C3
sdf - cml - pdb - cif
6 -CHLORO -3 - (3 -METHYLISOXAZOL -5 -YL) -4 -PHENYLQUINOLIN -2 (1H) -ONE

6CA
sdf - cml - pdb - cif
4' -{6 - [4 - (2 -CARBOXYPHENYLAMINO) -PHENOXY] -HEXYLOXY} -BIPHENYL -4 -CARBOXYLIC ACID

6CL
sdf - cml - pdb - cif
6 -CARBOXYLYSINE

6CM
sdf - cml - pdb - cif
N - ( (E,2S,3R) -1,3 -DIHYDROXYOCTADEC -4 -EN -2 -YL) HEXANAMIDE

6CP
sdf - cml - pdb - cif
6 -CYCLOHEXYLMETHOXY -2 - (3' -CHLOROANILINO) PURINE

6CS
sdf - cml - pdb - cif
(4S,5S) -5 -HYDROXY -2 -METHYL -1,4,5,6 -TETRAHYDROPYRIMIDINE -4 -CARBOXYLIC ACID

6CT
sdf - cml - pdb - cif
PHOSPHORIC ACID MONO - [5 -HYDROXYMETHYL -2 -METHYL -3 -THYMINYL -CYCLOPENTYLMETHYL] ESTER GROUP

6CW
sdf - cml - pdb - cif
6 -CHLORO -L -TRYPTOPHAN

6DE
sdf - cml - pdb - cif
1 - (2 -CHLOROPHENYL) -3,5 -DIMETHYL -1H -PYRAZOLE -4 -CARBOXYLIC ACID ETHYL ESTER

6EA
sdf - cml - pdb - cif
(1S) -1 - (1H -INDOL -3 -YLMETHYL) -2 - (2 -PYRIDIN -4 -YL - [1,7] NAPHTYRIDIN -5 -YLOXY) -EHYLAMINE

6FA
sdf - cml - pdb - cif
6 -HYDROXY -FLAVIN -ADENINE DINUCLEOTIDE

6GP
sdf - cml - pdb - cif
METHYL -N - (BETA -D -GLUCOPYRANOSYL) OXAMATE

6HA
sdf - cml - pdb - cif
1',5' -ANHYDRO -2',3' -DIDEOXY -2' - (ADENIN -9 -YL) -6' -O -PHOSPHORYL -D -ARABINO -HEXITOL

6HC
sdf - cml - pdb - cif
1',5' -ANHYDRO -2',3' -DIDEOXY -2' - (CYTOSIN -1 -YL) -6' -O -PHOSPHORYL -D -ARABINO -HEXITOL

6HE
sdf - cml - pdb - cif
6 -METHY -6 -DEPROPIONATEHEMIN

6HG
sdf - cml - pdb - cif
1',5' -ANHYDRO -2',3' -DIDEOXY -2' - (GUANIN -9 -YL) -6' -O -PHOSPHORYL -D -ARABINO -HEXITOL

6HT
sdf - cml - pdb - cif
1',5' -ANHYDRO -2',3' -DIDEOXY -2' - (THYMIN -1 -YL) -6' -O -PHOSPHORYL -D -ARABINO -HEXITOL

6IA
sdf - cml - pdb - cif
N6 -ISOPENTENYL -ADENOSINE -5' -MONOPHOSPHATE

6IG
sdf - cml - pdb - cif
6 -ETHYL -5 - [1 - (3 -METHOXYPROPYL) -1,2,3,4 -TETRAHYDROQUINOLIN -7 -YL] -N~4~ - (2 -PHENYLETHYL) PYRIMIDINE -2,4 -DIAMINE

6IN
sdf - cml - pdb - cif
4 - (1 -BENZYL -3 -CARBAMOYLMETHYL -2 -METHYL -1H -INDOL -5 -YLOXY) -BUTYRIC ACID

6IP
sdf - cml - pdb - cif
6 - [2 - (1H -INDOL -6 -YL) ETHYL] PYRIDIN -2 -AMINE

6MA
sdf - cml - pdb - cif
N6 -METHYL -DEOXY -ADENOSINE -5' -MONOPHOSPHATE

6MC
sdf - cml - pdb - cif
CIS -N6 -METHYL -DEOXY -ADENOSINE -5' -MONOPHOSPHATE

6MI
sdf - cml - pdb - cif
6 -METHYL -8 - (2 -DEOXY -RIBOFURANOSYL) ISOXANTHOPTERIDINE

6MO
sdf - cml - pdb - cif
MOLYBDENUM (VI) ION

6MP
sdf - cml - pdb - cif
6 -METHYLPURINE

6MR
sdf - cml - pdb - cif
N - [ (4' -IODOBIPHENYL -4 -YL) SULFONYL] -D -TRYPTOPHAN

6MT
sdf - cml - pdb - cif
TRANS -N6 -METHYL -DEOXY -ADENOSINE -5' -MONOPHOSPHATE

6MZ
sdf - cml - pdb - cif
N6 -METHYLADENOSINE -5' -MONOPHOSPHATE

6NA
sdf - cml - pdb - cif
HEXANOIC ACID

6NH
sdf - cml - pdb - cif
2 - (4 -HYDROXY -5 -PHENYL -1H -PYRAZOL -3 -YL) -1H -BENZOIMIDAZOLE -5 -CARBOXAMIDINE

6NI
sdf - cml - pdb - cif
6 -NITROINDAZOLE

6NP
sdf - cml - pdb - cif
6 ( (S) -3 -BENZYLPIPERAZIN -1 -YL) -3 - (NAPHTHALEN -2 -YL) -4 - (PYRIDIN -4 -YL) PYRAZINE

6OG
sdf - cml - pdb - cif
6 -O -METHYL GUANOSINE -5' -MONOPHOSPHATE

6PC
sdf - cml - pdb - cif
PYRIDINE -2 -CARBOXYLIC ACID

6PE
sdf - cml - pdb - cif
1,2 -DIHEXANOYL -SN -GLYCERO -3 -PHOSPHOETHANOLAMINE

6PG
sdf - cml - pdb - cif
6 -PHOSPHOGLUCONIC ACID

6PL
sdf - cml - pdb - cif
(4S,7R) -4 -HYDROXY -N,N,N -TRIMETHYL -9 -OXO -7 - [ (PALMITOYLOXY) METHYL] -3,5,8 -TRIOXA -4 -PHOSPHAHEXACOSAN -1 -AMINIUM 4 -OXIDE

6PR
sdf - cml - pdb - cif
(S) -4 -AMINO -4 -OXO -3 - (2 -PHOSPHONOACETAMIDO) BUTANOIC ACID

6SA
sdf - cml - pdb - cif
ACARBOSE DERIVED HEXASACCHARIDE

6SC
sdf - cml - pdb - cif
3 -bromo -5 -phenyl -N - (pyridin -4 -ylmethyl) pyrazolo [1,5 -a] pyrimidin -7 -amine

6UL
sdf - cml - pdb - cif
TETRACOSYL PALMITATE

6WO
sdf - cml - pdb - cif
OXO -TUNGSTEN (VI)
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