MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00823746

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
2S3	(2S)-2-(1H-indol-3-yl)pentanoic acid	B	3C6P	0.7
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
FBQ	1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN- 3-YL)METHYL]THIO}METHYL)PHENYL]- 2,2,2-TRIFLUOROETHANE-1,1-DIOL	A	1HBJ	0.71
8CA	9-benzyl-2,3,4,9-tetrahydro-1H- carbazole-8-carboxylic acid	A	3FR2	0.76
ICO	1H-INDOLE-3-CARBOXYLIC ACID	L	2PIP	0.75
IQA	(5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN- 7-YL)-ACETIC ACID	A	1OM1	0.71
QUA	8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID	C	2JQ7	0.78
QUA	8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID	B	1OLN	0.78
QUA	8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID	A	1E9W	0.78
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE	A,B,C	1KQG	0.76
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE	A,B,C,D,E,F	2VR0	0.76
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE	A,B,C,M,N,O,P	1KF6	0.76
BMS		A,B	1DKF	0.74
F8A	9-[2-(trifluoromethyl)benzyl]-2,3,4,9- tetrahydro-1H-carbazole-8-carboxylic acid	A	3FR4	0.74
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1CQ1	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1OTW	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1C9U	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1W6S	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1FLG	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A	1KV9	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD6	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1CRU	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1H4I	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD7	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD8	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A,D,I	2D0V	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A,C	4AAH	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A,C,E,G	1H4J	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A	1KB0	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A	1YIQ	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1LRW	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1G72	0.73
MTK	MONTELUKAST	A	2NNI	0.72
TRO	2-HYDROXY-TRYPTOPHAN	A	1KB0	0.71
TRO	2-HYDROXY-TRYPTOPHAN	A	1G3P	0.71
QNO	2-NONYL-4-HYDROXYQUINOLINE N-OXIDE	C,D,E	1NU1	0.76
QNO	2-NONYL-4-HYDROXYQUINOLINE N-OXIDE	A,B,C,D,G	2E75	0.76
HQA	3-(8-hydroxyquinolin-3-yl)-L-alanine	A,B	3FCA	0.71
PMC	3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1I43	0.72
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A,B	2QYN	0.76
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A,B	2QYK	0.76
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A	2QYL	0.76
BRE	2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID	A	1D3G	0.88
1IQ	2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5- DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE- 3-CARBOXYLIC ACID	A	1Z8N	0.79
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
238		A	2PRH	0.83
DK1	5,7-DICHLORO-4-HYDROXYQUINOLINE- 2-CARBOXYLIC ACID	A,B	1PBQ	0.74
4HG	N-[(4-HYDROXY-8-IODOISOQUINOLIN- 3-YL)CARBONYL]GLYCINE	A	2G19	0.72
4HG	N-[(4-HYDROXY-8-IODOISOQUINOLIN- 3-YL)CARBONYL]GLYCINE	A	2G1M	0.72
POO	3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN- 3-YL)METHYL]AMINO}-2-OXOETHYL)- 2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID	A	2BRL	0.75
9AC	9-ACRIDINECARBONYL	A,B,G,J,K,L,M	1G3X	0.79
FIC	5-fluoroindole-2-carboxylic acid	A,B	3DWS	0.74
I4A	5-(3-carbamoylbenzyl)-5,6,7,8,9,10- hexahydrocyclohepta[b]indole-4- carboxylic acid	A	3FR5	0.77
IMM	1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE- 3-ACETIC ACID	A,B	1PGF	0.72
IMM	1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE- 3-ACETIC ACID	A,B	1PGG	0.72
IDA	(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO- INDOL-7-YL)ACETIC ACID	A,B	1OXL	0.72
PYA	3-(1,10-PHENANTHROL-2-YL)-L-ALANINE	A	1HCW	0.73
UN9	N-[(1-CHLORO-4-HYDROXYISOQUINOLIN- 3-YL)CARBONYL]GLYCINE	A	2HBT	0.7
UN9	N-[(1-CHLORO-4-HYDROXYISOQUINOLIN- 3-YL)CARBONYL]GLYCINE	A	2HBU	0.7
CMF	3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL- 2-OXOETHYL)-2-PHENYL-1H-INDOLE- 6-CARBOXYLIC ACID	A	2BRK	0.73
QND	QUINALDIC ACID	A,B	1IDA	0.89
QNC	2-CARBONYLQUINOLINE	A,B	1MTB	0.76
QNC	2-CARBONYLQUINOLINE	A,B	2FGV	0.76
QNC	2-CARBONYLQUINOLINE	I	1IVQ	0.76
QNC	2-CARBONYLQUINOLINE	A,B	2FGU	0.76
QNC	2-CARBONYLQUINOLINE	A	1JLD	0.76
QNC	2-CARBONYLQUINOLINE	A,B	1HXB	0.76
HQU	3-HYDROXYQUINALDIC ACID	C,D	193D	0.81
BRF		A	1UUO	0.88
IAC	1H-INDOL-3-YLACETIC ACID	B	2P1Q	0.71
IAC	1H-INDOL-3-YLACETIC ACID	A	2OYF	0.71
IAC	1H-INDOL-3-YLACETIC ACID	A,B	3FVU	0.71
IAC	1H-INDOL-3-YLACETIC ACID	B	2P1P	0.71
NTM	QUINOLINIC ACID	A	3C2O	0.7
NTM	QUINOLINIC ACID	A,B	1QAP	0.7
NTM	QUINOLINIC ACID	A,B,C,D,E,F	1QPQ	0.7
NTM	QUINOLINIC ACID	A,B,C	2B7N	0.7
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PC2	0.77
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B,C,D	1ARZ	0.77
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PE7	0.77
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PES	0.77
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B	1C3V	0.77
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B	1P9L	0.77
CRZ	4-(9H-CARBAZOL-9-YL)BUTANOIC ACID	A	1TOW	0.71
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLN	0.71
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLO	0.71
VX3	2,3-diphenyl-1H-indole-7-carboxylic acid	A	3BGZ	0.76
D3E	N-cyclopropyl-N-(trans-4-pyridin- 3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro- 1-hydroxy-1-methylethyl]benzamide	A,B,C,D	3D3E	0.7