MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00831407

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
BRE	2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID	A	1D3G	0.8
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B,C	2W2I	0.77
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A	2GKL	0.77
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2VD7	0.77
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2JIG	0.77
238		A	2PRH	0.87
QNC	2-CARBONYLQUINOLINE	A,B	1MTB	0.73
QNC	2-CARBONYLQUINOLINE	A,B	2FGV	0.73
QNC	2-CARBONYLQUINOLINE	I	1IVQ	0.73
QNC	2-CARBONYLQUINOLINE	A,B	2FGU	0.73
QNC	2-CARBONYLQUINOLINE	A	1JLD	0.73
QNC	2-CARBONYLQUINOLINE	A,B	1HXB	0.73
UN9	N-[(1-CHLORO-4-HYDROXYISOQUINOLIN- 3-YL)CARBONYL]GLYCINE	A	2HBT	0.76
UN9	N-[(1-CHLORO-4-HYDROXYISOQUINOLIN- 3-YL)CARBONYL]GLYCINE	A	2HBU	0.76
669	1-(5-CARBOXYPENTYL)-5-(2,6-DICHLOROBENZYLOXY)- 1H-INDOLE-2-CARBOXYLIC ACID	A	1MZS	0.7
IMN	INDOMETHACIN	A	2BXM	0.7
IMN	INDOMETHACIN	A	3FO7	0.7
IMN	INDOMETHACIN	A,B,C,D	1Z9H	0.7
IMN	INDOMETHACIN	A	2BXQ	0.7
IMN	INDOMETHACIN	A,B,C,D	4COX	0.7
IMN	INDOMETHACIN	A	2ALT	0.7
IMN	INDOMETHACIN	A	2OTH	0.7
IMN	INDOMETHACIN	A,B	2DM6	0.7
IMN	INDOMETHACIN	A	1S2A	0.7
IMN	INDOMETHACIN	A	2ZB8	0.7
IMN	INDOMETHACIN	A	3HWZ	0.7
IMN	INDOMETHACIN	A	2BXK	0.7
225	FELODIPINE	A	2NNJ	0.73
2CC	3,4-bis(7-chloro-1H-indol-3-yl)- 1H-pyrrole-2,5-dicarboxylic acid	A	3A1L	0.71
CLI	3-(2-CARBOXY-ETHYL)-4,6-DICHLORO- 1H-INDOLE-2-CARBOXYLIC ACID	A,F	1LEV	0.77
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A,B	2QYN	0.71
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A,B	2QYK	0.71
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A	2QYL	0.71
MTK	MONTELUKAST	A	2NNI	0.73
9AC	9-ACRIDINECARBONYL	A,B,G,J,K,L,M	1G3X	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1CQ1	0.77
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1OTW	0.77
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1C9U	0.77
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1W6S	0.77
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1FLG	0.77
PQQ	PYRROLOQUINOLINE QUINONE	A	1KV9	0.77
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD6	0.77
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1CRU	0.77
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1H4I	0.77
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD7	0.77
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD8	0.77
PQQ	PYRROLOQUINOLINE QUINONE	A,D,I	2D0V	0.77
PQQ	PYRROLOQUINOLINE QUINONE	A,C	4AAH	0.77
PQQ	PYRROLOQUINOLINE QUINONE	A,C,E,G	1H4J	0.77
PQQ	PYRROLOQUINOLINE QUINONE	A	1KB0	0.77
PQQ	PYRROLOQUINOLINE QUINONE	A	1YIQ	0.77
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1LRW	0.77
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1G72	0.77
NZA	5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)- 1H-INDOLE-2-CARBOXYLIC ACID	A,B	2Q5S	0.73
NTM	QUINOLINIC ACID	A	3C2O	0.71
NTM	QUINOLINIC ACID	A,B	1QAP	0.71
NTM	QUINOLINIC ACID	A,B,C,D,E,F	1QPQ	0.71
NTM	QUINOLINIC ACID	A,B,C	2B7N	0.71
DK1	5,7-DICHLORO-4-HYDROXYQUINOLINE- 2-CARBOXYLIC ACID	A,B	1PBQ	0.84
DPY		A,B	1JES	0.71
BIN	2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM	A	1C8L	0.76
BIN	2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM	A	2AMV	0.76
BIN	2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM	A	3AMV	0.76
FIC	5-fluoroindole-2-carboxylic acid	A,B	3DWS	0.74
QUA	8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID	C	2JQ7	0.81
QUA	8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID	B	1OLN	0.81
QUA	8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID	A	1E9W	0.81
A46	5-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}- 1H-indole-2-carboxamide	A,B	2ZB2	0.71
BRF		A	1UUO	0.8
8CA	9-benzyl-2,3,4,9-tetrahydro-1H- carbazole-8-carboxylic acid	A	3FR2	0.7
HQU	3-HYDROXYQUINALDIC ACID	C,D	193D	0.8
1IQ	2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5- DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE- 3-CARBOXYLIC ACID	A	1Z8N	0.73
POO	3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN- 3-YL)METHYL]AMINO}-2-OXOETHYL)- 2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID	A	2BRL	0.71
QND	QUINALDIC ACID	A,B	1IDA	0.89
SF1	1-BENZYL-5-CHLORO-3-(PHENYLTHIO)- 1H-INDOLE-2-CARBOXYLIC ACID	A,B	2Q61	0.73
CMF	3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL- 2-OXOETHYL)-2-PHENYL-1H-INDOLE- 6-CARBOXYLIC ACID	A	2BRK	0.72
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLN	0.71
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLO	0.71
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PC2	0.78
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B,C,D	1ARZ	0.78
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PE7	0.78
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PES	0.78
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B	1C3V	0.78
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B	1P9L	0.78
PMC	3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1I43	0.71