MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02390708

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
I4A	5-(3-carbamoylbenzyl)-5,6,7,8,9,10- hexahydrocyclohepta[b]indole-4- carboxylic acid	A	3FR5	0.75
QNC	2-CARBONYLQUINOLINE	A,B	1MTB	0.75
QNC	2-CARBONYLQUINOLINE	A,B	2FGV	0.75
QNC	2-CARBONYLQUINOLINE	I	1IVQ	0.75
QNC	2-CARBONYLQUINOLINE	A,B	2FGU	0.75
QNC	2-CARBONYLQUINOLINE	A	1JLD	0.75
QNC	2-CARBONYLQUINOLINE	A,B	1HXB	0.75
BMS		A,B	1DKF	0.73
CBB	1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE- 2-CARBOXYLIC ACID 3-CARBAMIMIDOYL- BENZYLESTER	B	1LPK	0.71
F8A	9-[2-(trifluoromethyl)benzyl]-2,3,4,9- tetrahydro-1H-carbazole-8-carboxylic acid	A	3FR4	0.73
IQA	(5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN- 7-YL)-ACETIC ACID	A	1OM1	0.71
TCR	CYCLOMETHYLTRYPTOPHAN	A	3AIG	0.72
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE	A,B,C	1KQG	0.71
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE	A,B,C,D,E,F	2VR0	0.71
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE	A,B,C,M,N,O,P	1KF6	0.71
1IQ	2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5- DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE- 3-CARBOXYLIC ACID	A	1Z8N	0.8
POO	3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN- 3-YL)METHYL]AMINO}-2-OXOETHYL)- 2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID	A	2BRL	0.7
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	0.77
PMC	3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1I43	0.73
NA4	4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)- PYRIDIN-3-YL]-BENZOIC ACID	A,C	1RHM	0.73
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLN	0.73
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLO	0.73
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
QNO	2-NONYL-4-HYDROXYQUINOLINE N-OXIDE	C,D,E	1NU1	0.71
QNO	2-NONYL-4-HYDROXYQUINOLINE N-OXIDE	A,B,C,D,G	2E75	0.71
NIO	NICOTINIC ACID	A	1JHQ	0.73
NIO	NICOTINIC ACID	A	1L5L	0.73
NIO	NICOTINIC ACID	A	2F7F	0.73
NIO	NICOTINIC ACID	A	1L5K	0.73
NIO	NICOTINIC ACID	A	1JHY	0.73
NIO	NICOTINIC ACID	A,B	1FSL	0.73
NIO	NICOTINIC ACID	A	1L5M	0.73
NIO	NICOTINIC ACID	A	1LH6	0.73
NIO	NICOTINIC ACID	A	1JHO	0.73
NIO	NICOTINIC ACID	A	3CI8	0.73
NIO	NICOTINIC ACID	A,B,C,D	1ICU	0.73
NIO	NICOTINIC ACID	A,B,C,D,E,F, G,H	3HRD	0.73
NIO	NICOTINIC ACID	A	1JHA	0.73
NIO	NICOTINIC ACID	A	1JHV	0.73
NIO	NICOTINIC ACID	A	1L4N	0.73
NIO	NICOTINIC ACID	A	2LH6	0.73
NIO	NICOTINIC ACID	A	1D0V	0.73
NIO	NICOTINIC ACID	A,B,C,D	1ICV	0.73
NIO	NICOTINIC ACID	A,B	1ICR	0.73
NIO	NICOTINIC ACID	A	1JHR	0.73
NTM	QUINOLINIC ACID	A	3C2O	0.83
NTM	QUINOLINIC ACID	A,B	1QAP	0.83
NTM	QUINOLINIC ACID	A,B,C,D,E,F	1QPQ	0.83
NTM	QUINOLINIC ACID	A,B,C	2B7N	0.83
VX3	2,3-diphenyl-1H-indole-7-carboxylic acid	A	3BGZ	0.75
CLI	3-(2-CARBOXY-ETHYL)-4,6-DICHLORO- 1H-INDOLE-2-CARBOXYLIC ACID	A,F	1LEV	0.75
9AC	9-ACRIDINECARBONYL	A,B,G,J,K,L,M	1G3X	0.71
761	3-(OXALYL-AMINO)-NAPHTHALENE-2- CARBOXYLIC ACID	A	1C84	0.7
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B,C	2W2I	0.74
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A	2GKL	0.74
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2VD7	0.74
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2JIG	0.74
E09	3-HYDROXYMETHYL-5-AZIRIDINYL-1METHYL- 2-[1H-INDOLE-4,7-DIONE]-PROPANOL	A,B,C,D	1GG5	0.71
ICO	1H-INDOLE-3-CARBOXYLIC ACID	L	2PIP	0.72
CMF	3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL- 2-OXOETHYL)-2-PHENYL-1H-INDOLE- 6-CARBOXYLIC ACID	A	2BRK	0.71
OAI	6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID	A	1C83	0.74
BRE	2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID	A	1D3G	0.79
HQA	3-(8-hydroxyquinolin-3-yl)-L-alanine	A,B	3FCA	0.73
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A,B	2QYN	0.73
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A,B	2QYK	0.73
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A	2QYL	0.73
UN9	N-[(1-CHLORO-4-HYDROXYISOQUINOLIN- 3-YL)CARBONYL]GLYCINE	A	2HBT	0.7
UN9	N-[(1-CHLORO-4-HYDROXYISOQUINOLIN- 3-YL)CARBONYL]GLYCINE	A	2HBU	0.7
NIX	NALIDIXIC ACID	A,B	2BQ2	0.7
QUI	2-CARBOXYQUINOXALINE	A	1PFE	0.7
QUI	2-CARBOXYQUINOXALINE	A,B	2DA8	0.7
QUI	2-CARBOXYQUINOXALINE	A,C,E,G	2ADW	0.7
QUI	2-CARBOXYQUINOXALINE	A	1VS2	0.7
QUI	2-CARBOXYQUINOXALINE	A	1XVN	0.7
QUI	2-CARBOXYQUINOXALINE	A,B	185D	0.7
QUI	2-CARBOXYQUINOXALINE	A	1XVK	0.7
QUI	2-CARBOXYQUINOXALINE	A,C	1XVR	0.7
QUI	2-CARBOXYQUINOXALINE	A,B	3GO3	0.7
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1CQ1	0.8
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1OTW	0.8
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1C9U	0.8
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1W6S	0.8
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1FLG	0.8
PQQ	PYRROLOQUINOLINE QUINONE	A	1KV9	0.8
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD6	0.8
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1CRU	0.8
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1H4I	0.8
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD7	0.8
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD8	0.8
PQQ	PYRROLOQUINOLINE QUINONE	A,D,I	2D0V	0.8
PQQ	PYRROLOQUINOLINE QUINONE	A,C	4AAH	0.8
PQQ	PYRROLOQUINOLINE QUINONE	A,C,E,G	1H4J	0.8
PQQ	PYRROLOQUINOLINE QUINONE	A	1KB0	0.8
PQQ	PYRROLOQUINOLINE QUINONE	A	1YIQ	0.8
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1LRW	0.8
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1G72	0.8
HQU	3-HYDROXYQUINALDIC ACID	C,D	193D	0.82
3HM	5-hydroxy-6-methylpyridine-3-carboxylic acid	A,B	3GMC	0.73
QUA	8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID	C	2JQ7	0.79
QUA	8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID	B	1OLN	0.79
QUA	8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID	A	1E9W	0.79
DK1	5,7-DICHLORO-4-HYDROXYQUINOLINE- 2-CARBOXYLIC ACID	A,B	1PBQ	0.8
QND	QUINALDIC ACID	A,B	1IDA	0.91
238		A	2PRH	0.75
CRR	3,4-DI-1H-INDOL-3-YL-1H-PYRROLE- 2,5-DICARBOXYLIC ACID	A	2Z3U	0.73
BIN	2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM	A	1C8L	0.77
BIN	2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM	A	2AMV	0.77
BIN	2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM	A	3AMV	0.77
FIC	5-fluoroindole-2-carboxylic acid	A,B	3DWS	0.8
8CA	9-benzyl-2,3,4,9-tetrahydro-1H- carbazole-8-carboxylic acid	A	3FR2	0.75
OBA	2-(OXALYL-AMINO)-BENZOIC ACID	A	1C85	0.71
BRF		A	1UUO	0.79
DPY		A,B	1JES	0.78
794	2-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACID	A	1NO6	0.7
ARH	3-(HYDROXYMETHYL)-1-METHYL-5-(2- METHYLAZIRIDIN-1-YL)-2-PHENYL-1H- INDOLE-4,7-DIONE	A,B,C,D	1H69	0.72
225	FELODIPINE	A	2NNJ	0.71