MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01500914

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
544	2-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)- 3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL- 4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID	A,D	1K74	0.7
544	2-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)- 3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL- 4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID	A,C,E,G	1K7L	0.7
CRR	3,4-DI-1H-INDOL-3-YL-1H-PYRROLE- 2,5-DICARBOXYLIC ACID	A	2Z3U	0.71
340	5-METHOXY-1,2-DIMETHYL-3-(PHENOXYMETHYL)INDOLE- 4,7-DIONE	A,B,C,D	1KBO	0.72
QUA	8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID	C	2JQ7	0.77
QUA	8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID	B	1OLN	0.77
QUA	8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID	A	1E9W	0.77
882	(3R,5R)-7-[5-(ANILINOCARBONYL)- 3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL- 1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID	A,C,D	2Q1L	0.71
882	(3R,5R)-7-[5-(ANILINOCARBONYL)- 3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL- 1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID	A,C,D	3CD7	0.71
VX3	2,3-diphenyl-1H-indole-7-carboxylic acid	A	3BGZ	0.72
ARH	3-(HYDROXYMETHYL)-1-METHYL-5-(2- METHYLAZIRIDIN-1-YL)-2-PHENYL-1H- INDOLE-4,7-DIONE	A,B,C,D	1H69	0.71
CLI	3-(2-CARBOXY-ETHYL)-4,6-DICHLORO- 1H-INDOLE-2-CARBOXYLIC ACID	A,F	1LEV	0.73
DPY		A,B	1JES	0.76
116	7-[4-(4-FLUORO-PHENYL)-5-HYDROXYMETHYL- 2,6-DIISOPROPYL-PYRIDIN-3-YL]-3,5- DIHYDROXY-HEPTANOIC ACID	A,B,C,D	1HWJ	0.74
225	FELODIPINE	A	2NNJ	0.7
HTR	BETA-HYDROXYTRYPTOPHANE	A,B	1QPA	0.7
HTR	BETA-HYDROXYTRYPTOPHANE	A,B	1B80	0.7
HTR	BETA-HYDROXYTRYPTOPHANE	A	1ROV	0.7
C80	(2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)- 5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1- BENZYL-1H-INDOLE-3-CARBOXYLATE	C,O	2V11	0.72
FIC	5-fluoroindole-2-carboxylic acid	A,B	3DWS	0.76
OAI	6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID	A	1C83	0.71
CBN	CLOROBIOCIN	A	1KZN	0.7
DSI	4-HYDROXY-6-(1H-INDOLE-2-CARBONYL)- 8-METHYL-3,6,7,8-TETRAHYDRO-3,6- DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER	B	1DSI	0.7
ONO	2-[2-({[4-(DIAMINOMETHYL)PHENYL]AMINO}CARBONYL)- 6-METHOXYPYRIDIN-3-YL]-5-{[(1-FORMYL- 2,2-DIMETHYLPROPYL)AMINO]CARBONYL}BENZOIC ACID	A	2AYW	0.71
BIN	2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM	A	1C8L	0.75
BIN	2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM	A	2AMV	0.75
BIN	2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM	A	3AMV	0.75
7CK	7-carboxy-5-hydroxy-12,13-dihydro- 6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole	A,B	2R0G	0.71
CBB	1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE- 2-CARBOXYLIC ACID 3-CARBAMIMIDOYL- BENZYLESTER	B	1LPK	0.72
E09	3-HYDROXYMETHYL-5-AZIRIDINYL-1METHYL- 2-[1H-INDOLE-4,7-DIONE]-PROPANOL	A,B,C,D	1GG5	0.7
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1CQ1	0.76
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1OTW	0.76
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1C9U	0.76
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1W6S	0.76
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1FLG	0.76
PQQ	PYRROLOQUINOLINE QUINONE	A	1KV9	0.76
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD6	0.76
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1CRU	0.76
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1H4I	0.76
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD7	0.76
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD8	0.76
PQQ	PYRROLOQUINOLINE QUINONE	A,D,I	2D0V	0.76
PQQ	PYRROLOQUINOLINE QUINONE	A,C	4AAH	0.76
PQQ	PYRROLOQUINOLINE QUINONE	A,C,E,G	1H4J	0.76
PQQ	PYRROLOQUINOLINE QUINONE	A	1KB0	0.76
PQQ	PYRROLOQUINOLINE QUINONE	A	1YIQ	0.76
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1LRW	0.76
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1G72	0.76