MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00121642

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
116	7-[4-(4-FLUORO-PHENYL)-5-HYDROXYMETHYL- 2,6-DIISOPROPYL-PYRIDIN-3-YL]-3,5- DIHYDROXY-HEPTANOIC ACID	A,B,C,D	1HWJ	0.7
NIX	NALIDIXIC ACID	A,B	2BQ2	0.71
NA4	4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)- PYRIDIN-3-YL]-BENZOIC ACID	A,C	1RHM	0.73
HQU	3-HYDROXYQUINALDIC ACID	C,D	193D	0.74
225	FELODIPINE	A	2NNJ	0.72
QND	QUINALDIC ACID	A,B	1IDA	0.79
ARH	3-(HYDROXYMETHYL)-1-METHYL-5-(2- METHYLAZIRIDIN-1-YL)-2-PHENYL-1H- INDOLE-4,7-DIONE	A,B,C,D	1H69	0.76
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
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	0.75
DPY		A,B	1JES	0.71
BRF		A	1UUO	0.77
E09	3-HYDROXYMETHYL-5-AZIRIDINYL-1METHYL- 2-[1H-INDOLE-4,7-DIONE]-PROPANOL	A,B,C,D	1GG5	0.73
1IQ	2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5- DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE- 3-CARBOXYLIC ACID	A	1Z8N	0.74
BIN	2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM	A	1C8L	0.74
BIN	2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM	A	2AMV	0.74
BIN	2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM	A	3AMV	0.74
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PC2	0.74
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B,C,D	1ARZ	0.74
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PE7	0.74
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PES	0.74
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B	1C3V	0.74
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B	1P9L	0.74
NTM	QUINOLINIC ACID	A	3C2O	0.74
NTM	QUINOLINIC ACID	A,B	1QAP	0.74
NTM	QUINOLINIC ACID	A,B,C,D,E,F	1QPQ	0.74
NTM	QUINOLINIC ACID	A,B,C	2B7N	0.74
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
8CA	9-benzyl-2,3,4,9-tetrahydro-1H- carbazole-8-carboxylic acid	A	3FR2	0.72
238		A	2PRH	0.73
BRE	2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID	A	1D3G	0.77