MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00838097

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
6DE	1-(2-CHLOROPHENYL)-3,5-DIMETHYL- 1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER	A,B	1Y2H	0.74
BRF		A	1UUO	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	0.7
EI1	3-ETHYL-2-(4-HYDROXYPHENYL)-2H- INDAZOL-5-OL	A,B	2QAB	0.73
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PC2	0.71
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B,C,D	1ARZ	0.71
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PE7	0.71
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PES	0.71
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B	1C3V	0.71
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B	1P9L	0.71
F8A	9-[2-(trifluoromethyl)benzyl]-2,3,4,9- tetrahydro-1H-carbazole-8-carboxylic acid	A	3FR4	0.72
QND	QUINALDIC ACID	A,B	1IDA	0.76
BRE	2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID	A	1D3G	0.73
4DE	1-(4-METHOXYPHENYL)-3,5-DIMETHYL- 1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER	A,B	1Y2D	0.75
FIC	5-fluoroindole-2-carboxylic acid	A,B	3DWS	0.71
073	(4-{(2S,4E)-2-(1H-1,2,3-BENZOTRIAZOL- 1-YL)-2-[4-(METHOXYCARBONYL)PHENYL]- 5-PHENYLPENT-4-ENYL}PHENYL)(DIFLUORO)METHYLPHOSPHONIC ACID	A,B	2FJM	0.7
073	(4-{(2S,4E)-2-(1H-1,2,3-BENZOTRIAZOL- 1-YL)-2-[4-(METHOXYCARBONYL)PHENYL]- 5-PHENYLPENT-4-ENYL}PHENYL)(DIFLUORO)METHYLPHOSPHONIC ACID	A,B	2FJN	0.7
3DE	3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE- 4-CARBOXYLIC ACID ETHYL ESTER	A,B	1Y2C	0.75
326	2-{(E)-[5-HYDROXY-3-METHYL-1-(2- METHYL-4-SULFOPHENYL)-1H-PYRAZOL- 4-YL]DIAZENYL}-4-SULFOBENZOIC ACID	A,B	1THZ	0.75
I4A	5-(3-carbamoylbenzyl)-5,6,7,8,9,10- hexahydrocyclohepta[b]indole-4- carboxylic acid	A	3FR5	0.71
7DE	3,5-DIMETHYL-1-(3-NITROPHENYL)- 1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER	A,B	1Y2J	0.75
7DE	3,5-DIMETHYL-1-(3-NITROPHENYL)- 1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER	A,B	1Y2K	0.75
ICO	1H-INDOLE-3-CARBOXYLIC ACID	L	2PIP	0.71
8CA	9-benzyl-2,3,4,9-tetrahydro-1H- carbazole-8-carboxylic acid	A	3FR2	0.74
MRE	2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID	A,B	2V9C	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1CQ1	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1OTW	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1C9U	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1W6S	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1FLG	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A	1KV9	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD6	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1CRU	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1H4I	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD7	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD8	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,D,I	2D0V	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,C	4AAH	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,C,E,G	1H4J	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A	1KB0	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A	1YIQ	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1LRW	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1G72	0.71
5DE	1-(4-AMINOPHENYL)-3,5-DIMETHYL- 1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER	A,B	1Y2E	0.76