MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00044326

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.

Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
INO	2-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCL	0.71
INO	2-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCJ	0.71
NA4	4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)- PYRIDIN-3-YL]-BENZOIC ACID	A,C	1RHM	0.74
PXG	3-[O-PHOSPHONOPYRIDOXYL]--AMINO- BENZOIC ACID	A	1B9I	0.72
PT1	PTEROIC ACID	A,B	1TX0	0.73
PT1	PTEROIC ACID	A	1BR6	0.73
PT1	PTEROIC ACID	A,B	1HWP	0.73
ICO	1H-INDOLE-3-CARBOXYLIC ACID	L	2PIP	0.75
BMS		A,B	1DKF	0.75
DTR	D-TRYPTOPHAN	A,B,C,D	2R3C	0.7
DTR	D-TRYPTOPHAN	A	1XY8	0.7
DTR	D-TRYPTOPHAN	A,B,C,H,K,L	2R5D	0.7
DTR	D-TRYPTOPHAN	A	2V7K	0.7
DTR	D-TRYPTOPHAN	A,D	1CZQ	0.7
DTR	D-TRYPTOPHAN	A	1DFY	0.7
DTR	D-TRYPTOPHAN	A	1XY5	0.7
DTR	D-TRYPTOPHAN	A	1NXN	0.7
DTR	D-TRYPTOPHAN	A	1TKF	0.7
DTR	D-TRYPTOPHAN	A	1YL9	0.7
DTR	D-TRYPTOPHAN	A	1XXZ	0.7
DTR	D-TRYPTOPHAN	A	1XY4	0.7
DTR	D-TRYPTOPHAN	A,D	2Q3I	0.7
DTR	D-TRYPTOPHAN	A	1QFB	0.7
DTR	D-TRYPTOPHAN	A	1DFZ	0.7
DTR	D-TRYPTOPHAN	A	1XY9	0.7
DTR	D-TRYPTOPHAN	A	1XY6	0.7
DTR	D-TRYPTOPHAN	A	2SOC	0.7
DTR	D-TRYPTOPHAN	A	2JUE	0.7
DTR	D-TRYPTOPHAN	A	1SOC	0.7
DTR	D-TRYPTOPHAN	A	1YL8	0.7
DTR	D-TRYPTOPHAN	A,B,C,D,E,F, G,H	1DDO	0.7
DTR	D-TRYPTOPHAN	A,B	2Q33	0.7
DTR	D-TRYPTOPHAN	A	1DG0	0.7
DTR	D-TRYPTOPHAN	A,B,C,H,K,L	2R5B	0.7
4HG	N-[(4-HYDROXY-8-IODOISOQUINOLIN- 3-YL)CARBONYL]GLYCINE	A	2G19	0.75
4HG	N-[(4-HYDROXY-8-IODOISOQUINOLIN- 3-YL)CARBONYL]GLYCINE	A	2G1M	0.75
8CA	9-benzyl-2,3,4,9-tetrahydro-1H- carbazole-8-carboxylic acid	A	3FR2	0.71
ITR	IMINO-TRYPTOPHAN	A,B,C,D,E,F, G,H	1DDO	0.7
POO	3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN- 3-YL)METHYL]AMINO}-2-OXOETHYL)- 2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID	A	2BRL	0.72
UN9	N-[(1-CHLORO-4-HYDROXYISOQUINOLIN- 3-YL)CARBONYL]GLYCINE	A	2HBT	0.71
UN9	N-[(1-CHLORO-4-HYDROXYISOQUINOLIN- 3-YL)CARBONYL]GLYCINE	A	2HBU	0.71
COP	N-(4-CARBOXY-4-{4-[(2,4-DIAMINO- PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}- BUTYL)-PHTHALAMIC ACID	A	1OHJ	0.71
COP	N-(4-CARBOXY-4-{4-[(2,4-DIAMINO- PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}- BUTYL)-PHTHALAMIC ACID	A	1OHK	0.71
QUA	8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID	C	2JQ7	0.78
QUA	8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID	B	1OLN	0.78
QUA	8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID	A	1E9W	0.78
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLN	0.84
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLO	0.84
NTM	QUINOLINIC ACID	A	3C2O	0.82
NTM	QUINOLINIC ACID	A,B	1QAP	0.82
NTM	QUINOLINIC ACID	A,B,C,D,E,F	1QPQ	0.82
NTM	QUINOLINIC ACID	A,B,C	2B7N	0.82
QUI	2-CARBOXYQUINOXALINE	A	1PFE	0.76
QUI	2-CARBOXYQUINOXALINE	A,B	2DA8	0.76
QUI	2-CARBOXYQUINOXALINE	A,C,E,G	2ADW	0.76
QUI	2-CARBOXYQUINOXALINE	A	1VS2	0.76
QUI	2-CARBOXYQUINOXALINE	A	1XVN	0.76
QUI	2-CARBOXYQUINOXALINE	A,B	185D	0.76
QUI	2-CARBOXYQUINOXALINE	A	1XVK	0.76
QUI	2-CARBOXYQUINOXALINE	A,C	1XVR	0.76
QUI	2-CARBOXYQUINOXALINE	A,B	3GO3	0.76
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PC2	0.8
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B,C,D	1ARZ	0.8
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PE7	0.8
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PES	0.8
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B	1C3V	0.8
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B	1P9L	0.8
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A,B	2QYN	0.82
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A,B	2QYK	0.82
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A	2QYL	0.82
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHQ	0.7
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHP	0.7
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2GYU	0.7
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1CQ1	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1OTW	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1C9U	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1W6S	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1FLG	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A	1KV9	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD6	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1CRU	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1H4I	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD7	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD8	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,D,I	2D0V	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,C	4AAH	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,C,E,G	1H4J	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A	1KB0	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A	1YIQ	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1LRW	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1G72	0.72
DK1	5,7-DICHLORO-4-HYDROXYQUINOLINE- 2-CARBOXYLIC ACID	A,B	1PBQ	0.75
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B,C	2W2I	0.84
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A	2GKL	0.84
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2VD7	0.84
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2JIG	0.84
9HP	9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINE	A	1PMU	0.72
FIC	5-fluoroindole-2-carboxylic acid	A,B	3DWS	0.73
BRE	2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID	A	1D3G	0.76
NFL	2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID	A	1TD7	0.71
CMF	3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL- 2-OXOETHYL)-2-PHENYL-1H-INDOLE- 6-CARBOXYLIC ACID	A	2BRK	0.71
NNO	6-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCK	0.7
NNO	6-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCM	0.7
4IN	4-AMINO-L-TRYPTOPHAN	A,B	2HXX	0.71
4IN	4-AMINO-L-TRYPTOPHAN	A	1OXF	0.71
DPY		A,B	1JES	0.71
OAI	6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID	A	1C83	0.74
I4A	5-(3-carbamoylbenzyl)-5,6,7,8,9,10- hexahydrocyclohepta[b]indole-4- carboxylic acid	A	3FR5	0.72
QNC	2-CARBONYLQUINOLINE	A,B	1MTB	0.72
QNC	2-CARBONYLQUINOLINE	A,B	2FGV	0.72
QNC	2-CARBONYLQUINOLINE	I	1IVQ	0.72
QNC	2-CARBONYLQUINOLINE	A,B	2FGU	0.72
QNC	2-CARBONYLQUINOLINE	A	1JLD	0.72
QNC	2-CARBONYLQUINOLINE	A,B	1HXB	0.72
TTQ	6-AMINO-7-HYDROXY-L-TRYPTOPHAN	D,H	2I0S	0.7
TTQ	6-AMINO-7-HYDROXY-L-TRYPTOPHAN	D,H	2HXC	0.7
TQQ	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID	D,H	2I0T	0.7
TQQ	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID	A,B,C,D,K,L, M,N	2J57	0.7
TQQ	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID	D,H	2OK4	0.7
TQQ	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID	D,H	2IUR	0.7
TQQ	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID	D,H	2AGW	0.7
TQQ	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID	A,B,H,L,M	2J56	0.7
TQQ	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID	D,H	2IUV	0.7
TQQ	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID	D,H	2OK6	0.7
QND	QUINALDIC ACID	A,B	1IDA	0.88
D3E	N-cyclopropyl-N-(trans-4-pyridin- 3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro- 1-hydroxy-1-methylethyl]benzamide	A,B,C,D	3D3E	0.74
PYC	PYRROLE-2-CARBOXYLATE	A	1W62	0.71
PYC	PYRROLE-2-CARBOXYLATE	A,B	1L9D	0.71
PYC	PYRROLE-2-CARBOXYLATE	A,B	2CWH	0.71
PYC	PYRROLE-2-CARBOXYLATE	A,B	1W61	0.71
PYC	PYRROLE-2-CARBOXYLATE	A,B	1ELI	0.71
HTR	BETA-HYDROXYTRYPTOPHANE	A,B	1QPA	0.7
HTR	BETA-HYDROXYTRYPTOPHANE	A,B	1B80	0.7
HTR	BETA-HYDROXYTRYPTOPHANE	A	1ROV	0.7
PYB	4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID	A,D,E,G,I,J	1S32	0.73
PYB	4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID	D,I,J	1M18	0.73
PYB	4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID	E,I,J	1M1A	0.73
PYB	4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID	E,I,J	1M19	0.73
LG2	6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8- TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE- 3-CARBOXYLIC ACID	A,B,C,D	1H9U	0.76
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEY	0.7
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEZ	0.7
L92	(2S)-3-{4-[3-(5-METHYL-2-PHENYL- 1,3-OXAZOL-4-YL)PROPYL]PHENYL}- 2-(1H-PYRROL-1-YL)PROPANOIC ACID	A	2Q8S	0.71
PMC	3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1I43	0.83
SN6	1-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUM	A,B	144D	0.71
BP5	3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE	A	2PXH	0.77
PAA	(N-METHYLPYRIDYL)ACETIC ACID	I	1HBT	0.7
3IB	3-INDOLEBUTYRIC ACID	A,B	2AY6	0.7
3IB	3-INDOLEBUTYRIC ACID	A,B,C,E	2GJ6	0.7
238		A	2PRH	0.72
BRF		A	1UUO	0.76
PRR	3-(METHYL-PYRIDINIUM)ALANINE	H,I,J	7KME	0.73
APT	2-AMINO-6-[(4-CARBOXY-PHENYLAMINO)- METHYL]-4-HYDROXY-PTERIDIN-1-IUM	A,B	1QCJ	0.71
PF7	4-(quinolin-3-ylmethyl)piperidine- 1-carboxylic acid	A,B	2VYA	0.72
3HM	5-hydroxy-6-methylpyridine-3-carboxylic acid	A,B	3GMC	0.72
NIO	NICOTINIC ACID	A	1JHQ	0.76
NIO	NICOTINIC ACID	A	1L5L	0.76
NIO	NICOTINIC ACID	A	2F7F	0.76
NIO	NICOTINIC ACID	A	1L5K	0.76
NIO	NICOTINIC ACID	A	1JHY	0.76
NIO	NICOTINIC ACID	A,B	1FSL	0.76
NIO	NICOTINIC ACID	A	1L5M	0.76
NIO	NICOTINIC ACID	A	1LH6	0.76
NIO	NICOTINIC ACID	A	1JHO	0.76
NIO	NICOTINIC ACID	A	3CI8	0.76
NIO	NICOTINIC ACID	A,B,C,D	1ICU	0.76
NIO	NICOTINIC ACID	A,B,C,D,E,F, G,H	3HRD	0.76
NIO	NICOTINIC ACID	A	1JHA	0.76
NIO	NICOTINIC ACID	A	1JHV	0.76
NIO	NICOTINIC ACID	A	1L4N	0.76
NIO	NICOTINIC ACID	A	2LH6	0.76
NIO	NICOTINIC ACID	A	1D0V	0.76
NIO	NICOTINIC ACID	A,B,C,D	1ICV	0.76
NIO	NICOTINIC ACID	A,B	1ICR	0.76
NIO	NICOTINIC ACID	A	1JHR	0.76
CRR	3,4-DI-1H-INDOL-3-YL-1H-PYRROLE- 2,5-DICARBOXYLIC ACID	A	2Z3U	0.74
HQU	3-HYDROXYQUINALDIC ACID	C,D	193D	0.79
HQA	3-(8-hydroxyquinolin-3-yl)-L-alanine	A,B	3FCA	0.77
4PP		C,L	1XKA	0.73
4PP		A,B,C,D	1XKB	0.73
PYA	3-(1,10-PHENANTHROL-2-YL)-L-ALANINE	A	1HCW	0.77