MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02740713

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
225	FELODIPINE	A	2NNJ	0.74
ICO	1H-INDOLE-3-CARBOXYLIC ACID	L	2PIP	0.73
BMS		A,B	1DKF	0.73
I4A	5-(3-carbamoylbenzyl)-5,6,7,8,9,10- hexahydrocyclohepta[b]indole-4- carboxylic acid	A	3FR5	0.73
BRF		A	1UUO	0.85
VX3	2,3-diphenyl-1H-indole-7-carboxylic acid	A	3BGZ	0.73
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
FIC	5-fluoroindole-2-carboxylic acid	A,B	3DWS	0.72
QNC	2-CARBONYLQUINOLINE	A,B	1MTB	0.74
QNC	2-CARBONYLQUINOLINE	A,B	2FGV	0.74
QNC	2-CARBONYLQUINOLINE	I	1IVQ	0.74
QNC	2-CARBONYLQUINOLINE	A,B	2FGU	0.74
QNC	2-CARBONYLQUINOLINE	A	1JLD	0.74
QNC	2-CARBONYLQUINOLINE	A,B	1HXB	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	0.73
9AC	9-ACRIDINECARBONYL	A,B,G,J,K,L,M	1G3X	0.76
238		A	2PRH	0.9
IMN	INDOMETHACIN	A	2BXM	0.74
IMN	INDOMETHACIN	A	3FO7	0.74
IMN	INDOMETHACIN	A,B,C,D	1Z9H	0.74
IMN	INDOMETHACIN	A	2BXQ	0.74
IMN	INDOMETHACIN	A,B,C,D	4COX	0.74
IMN	INDOMETHACIN	A	2ALT	0.74
IMN	INDOMETHACIN	A	2OTH	0.74
IMN	INDOMETHACIN	A,B	2DM6	0.74
IMN	INDOMETHACIN	A	1S2A	0.74
IMN	INDOMETHACIN	A	2ZB8	0.74
IMN	INDOMETHACIN	A	3HWZ	0.74
IMN	INDOMETHACIN	A	2BXK	0.74
CMF	3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL- 2-OXOETHYL)-2-PHENYL-1H-INDOLE- 6-CARBOXYLIC ACID	A	2BRK	0.71
F8A	9-[2-(trifluoromethyl)benzyl]-2,3,4,9- tetrahydro-1H-carbazole-8-carboxylic acid	A	3FR4	0.72
BIN	2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM	A	1C8L	0.71
BIN	2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM	A	2AMV	0.71
BIN	2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM	A	3AMV	0.71
POO	3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN- 3-YL)METHYL]AMINO}-2-OXOETHYL)- 2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID	A	2BRL	0.73
HQU	3-HYDROXYQUINALDIC ACID	C,D	193D	0.77
LCF	[6-(4-CHLOROPHENYL)-2,2-DIMETHYL- 7-PHENYL-2,3-DIHYDRO-1H-PYRROLIZIN- 5-YL]ACETIC ACID	A	1ZYX	0.72
NZA	5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)- 1H-INDOLE-2-CARBOXYLIC ACID	A,B	2Q5S	0.71
BRE	2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID	A	1D3G	0.85
A46	5-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}- 1H-indole-2-carboxamide	A,B	2ZB2	0.71
CNQ	3-(4-CHLOROPHENYL)QUINOXALINE-5- CARBOXAMIDE	A,B,C,D	1WOK	0.71
SF1	1-BENZYL-5-CHLORO-3-(PHENYLTHIO)- 1H-INDOLE-2-CARBOXYLIC ACID	A,B	2Q61	0.7
CLI	3-(2-CARBOXY-ETHYL)-4,6-DICHLORO- 1H-INDOLE-2-CARBOXYLIC ACID	A,F	1LEV	0.76
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A,B	2QYN	0.73
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A,B	2QYK	0.73
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A	2QYL	0.73
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A,B	3CFQ	0.7
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A	1SV9	0.7
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A	1NR6	0.7
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A	3HWV	0.7
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	B	1DVX	0.7
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A	2B6D	0.7
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A,B,C,D	1PXX	0.7
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A	2B17	0.7
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
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B,C	2W2I	0.71
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A	2GKL	0.71
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2VD7	0.71
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2JIG	0.71
QND	QUINALDIC ACID	A,B	1IDA	0.85
CQA	4-[(7-CHLOROQUINOLIN-4-YL)AMINO]- 2-[(DIETHYLAMINO)METHYL]PHENOL	A,B	2AOU	0.71
HUX	3-CHLORO-9-ETHYL-6,7,8,9,10,11- HEXAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN- 12-AMINE	A	1E66	0.7
MTK	MONTELUKAST	A	2NNI	0.8
PYA	3-(1,10-PHENANTHROL-2-YL)-L-ALANINE	A	1HCW	0.7
1IQ	2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5- DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE- 3-CARBOXYLIC ACID	A	1Z8N	0.77
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE	A,B,C	1KQG	0.73
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE	A,B,C,D,E,F	2VR0	0.73
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE	A,B,C,M,N,O,P	1KF6	0.73
UN9	N-[(1-CHLORO-4-HYDROXYISOQUINOLIN- 3-YL)CARBONYL]GLYCINE	A	2HBT	0.74
UN9	N-[(1-CHLORO-4-HYDROXYISOQUINOLIN- 3-YL)CARBONYL]GLYCINE	A	2HBU	0.74
QNO	2-NONYL-4-HYDROXYQUINOLINE N-OXIDE	C,D,E	1NU1	0.73
QNO	2-NONYL-4-HYDROXYQUINOLINE N-OXIDE	A,B,C,D,G	2E75	0.73
8CA	9-benzyl-2,3,4,9-tetrahydro-1H- carbazole-8-carboxylic acid	A	3FR2	0.74
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
DK1	5,7-DICHLORO-4-HYDROXYQUINOLINE- 2-CARBOXYLIC ACID	A,B	1PBQ	0.83