MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01641209

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
CBB	1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE- 2-CARBOXYLIC ACID 3-CARBAMIMIDOYL- BENZYLESTER	B	1LPK	0.76
V25	ethyl 3-[(E)-2-amino-1-cyanoethenyl]- 6,7-dichloro-1-methyl-1H-indole- 2-carboxylate	A	2VAG	0.76
669	1-(5-CARBOXYPENTYL)-5-(2,6-DICHLOROBENZYLOXY)- 1H-INDOLE-2-CARBOXYLIC ACID	A	1MZS	0.72
VX3	2,3-diphenyl-1H-indole-7-carboxylic acid	A	3BGZ	0.73
A46	5-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}- 1H-indole-2-carboxamide	A,B	2ZB2	0.75
RXC	(1S)-1-(3-chlorophenyl)-2-oxo-2- [(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin- 5-yl)amino]ethyl acetate	A,B,C,D	3DEJ	0.7
FIC	5-fluoroindole-2-carboxylic acid	A,B	3DWS	0.74
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1CQ1	0.78
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1OTW	0.78
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1C9U	0.78
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1W6S	0.78
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1FLG	0.78
PQQ	PYRROLOQUINOLINE QUINONE	A	1KV9	0.78
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD6	0.78
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1CRU	0.78
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1H4I	0.78
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD7	0.78
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD8	0.78
PQQ	PYRROLOQUINOLINE QUINONE	A,D,I	2D0V	0.78
PQQ	PYRROLOQUINOLINE QUINONE	A,C	4AAH	0.78
PQQ	PYRROLOQUINOLINE QUINONE	A,C,E,G	1H4J	0.78
PQQ	PYRROLOQUINOLINE QUINONE	A	1KB0	0.78
PQQ	PYRROLOQUINOLINE QUINONE	A	1YIQ	0.78
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1LRW	0.78
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1G72	0.78
IMN	INDOMETHACIN	A	2BXM	0.73
IMN	INDOMETHACIN	A	3FO7	0.73
IMN	INDOMETHACIN	A,B,C,D	1Z9H	0.73
IMN	INDOMETHACIN	A	2BXQ	0.73
IMN	INDOMETHACIN	A,B,C,D	4COX	0.73
IMN	INDOMETHACIN	A	2ALT	0.73
IMN	INDOMETHACIN	A	2OTH	0.73
IMN	INDOMETHACIN	A,B	2DM6	0.73
IMN	INDOMETHACIN	A	1S2A	0.73
IMN	INDOMETHACIN	A	2ZB8	0.73
IMN	INDOMETHACIN	A	3HWZ	0.73
IMN	INDOMETHACIN	A	2BXK	0.73
2CC	3,4-bis(7-chloro-1H-indol-3-yl)- 1H-pyrrole-2,5-dicarboxylic acid	A	3A1L	0.72
CLI	3-(2-CARBOXY-ETHYL)-4,6-DICHLORO- 1H-INDOLE-2-CARBOXYLIC ACID	A,F	1LEV	0.79
5Z5	5-[(Z)-(5-CHLORO-2-OXO-1,2-DIHYDRO- 3H-INDOL-3-YLIDENE)METHYL]-N-(DIETHYLAMINO)ETHYL]- 2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE	A	2JAV	0.71
IMS	2-[1-(4-CHLOROBENZOYL)-5-METHOXY- 2-METHYL-1H-INDOL-3-YL]-N-[(1S)- 1-(HYDROXYMETHYL)PROPYL]ACETAMIDE	P	2OYU	0.73
IM8	2-[1-(4-CHLOROBENZOYL)-5-METHOXY- 2-METHYL-1H-INDOL-3-YL]-N-[(1R)- 1-(HYDROXYMETHYL)PROPYL]ACETAMIDE	P	2OYE	0.73
ARH	3-(HYDROXYMETHYL)-1-METHYL-5-(2- METHYLAZIRIDIN-1-YL)-2-PHENYL-1H- INDOLE-4,7-DIONE	A,B,C,D	1H69	0.7
225	FELODIPINE	A	2NNJ	0.79
BIN	2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM	A	1C8L	0.78
BIN	2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM	A	2AMV	0.78
BIN	2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM	A	3AMV	0.78