MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00092263

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
PMC	3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1I43	0.74
BRE	2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID	A	1D3G	0.9
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1CQ1	0.74
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1OTW	0.74
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1C9U	0.74
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1W6S	0.74
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1FLG	0.74
PQQ	PYRROLOQUINOLINE QUINONE	A	1KV9	0.74
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD6	0.74
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1CRU	0.74
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1H4I	0.74
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD7	0.74
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD8	0.74
PQQ	PYRROLOQUINOLINE QUINONE	A,D,I	2D0V	0.74
PQQ	PYRROLOQUINOLINE QUINONE	A,C	4AAH	0.74
PQQ	PYRROLOQUINOLINE QUINONE	A,C,E,G	1H4J	0.74
PQQ	PYRROLOQUINOLINE QUINONE	A	1KB0	0.74
PQQ	PYRROLOQUINOLINE QUINONE	A	1YIQ	0.74
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1LRW	0.74
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1G72	0.74
BMS		A,B	1DKF	0.75
F8A	9-[2-(trifluoromethyl)benzyl]-2,3,4,9- tetrahydro-1H-carbazole-8-carboxylic acid	A	3FR4	0.75
UN9	N-[(1-CHLORO-4-HYDROXYISOQUINOLIN- 3-YL)CARBONYL]GLYCINE	A	2HBT	0.71
UN9	N-[(1-CHLORO-4-HYDROXYISOQUINOLIN- 3-YL)CARBONYL]GLYCINE	A	2HBU	0.71
1IQ	2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5- DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE- 3-CARBOXYLIC ACID	A	1Z8N	0.8
TCR	CYCLOMETHYLTRYPTOPHAN	A	3AIG	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	0.72
QND	QUINALDIC ACID	A,B	1IDA	0.9
3IB	3-INDOLEBUTYRIC ACID	A,B	2AY6	0.71
3IB	3-INDOLEBUTYRIC ACID	A,B,C,E	2GJ6	0.71
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PC2	0.79
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B,C,D	1ARZ	0.79
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PE7	0.79
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PES	0.79
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B	1C3V	0.79
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B	1P9L	0.79
FIC	5-fluoroindole-2-carboxylic acid	A,B	3DWS	0.75
MTK	MONTELUKAST	A	2NNI	0.73
I4A	5-(3-carbamoylbenzyl)-5,6,7,8,9,10- hexahydrocyclohepta[b]indole-4- carboxylic acid	A	3FR5	0.78
QNC	2-CARBONYLQUINOLINE	A,B	1MTB	0.78
QNC	2-CARBONYLQUINOLINE	A,B	2FGV	0.78
QNC	2-CARBONYLQUINOLINE	I	1IVQ	0.78
QNC	2-CARBONYLQUINOLINE	A,B	2FGU	0.78
QNC	2-CARBONYLQUINOLINE	A	1JLD	0.78
QNC	2-CARBONYLQUINOLINE	A,B	1HXB	0.78
IMM	1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE- 3-ACETIC ACID	A,B	1PGF	0.7
IMM	1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE- 3-ACETIC ACID	A,B	1PGG	0.7
VX3	2,3-diphenyl-1H-indole-7-carboxylic acid	A	3BGZ	0.77
9AC	9-ACRIDINECARBONYL	A,B,G,J,K,L,M	1G3X	0.81
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLN	0.72
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLO	0.72
CRZ	4-(9H-CARBAZOL-9-YL)BUTANOIC ACID	A	1TOW	0.72
NTM	QUINOLINIC ACID	A	3C2O	0.71
NTM	QUINOLINIC ACID	A,B	1QAP	0.71
NTM	QUINOLINIC ACID	A,B,C,D,E,F	1QPQ	0.71
NTM	QUINOLINIC ACID	A,B,C	2B7N	0.71
ICO	1H-INDOLE-3-CARBOXYLIC ACID	L	2PIP	0.77
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B,C	2W2I	0.75
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A	2GKL	0.75
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2VD7	0.75
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2JIG	0.75
9HP	9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINE	A	1PMU	0.7
IAC	1H-INDOL-3-YLACETIC ACID	B	2P1Q	0.72
IAC	1H-INDOL-3-YLACETIC ACID	A	2OYF	0.72
IAC	1H-INDOL-3-YLACETIC ACID	A,B	3FVU	0.72
IAC	1H-INDOL-3-YLACETIC ACID	B	2P1P	0.72
MRE	2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID	A,B	2V9C	0.7
2S2	(2S)-2-(1H-indol-3-yl)hexanoic acid	B	3C6O	0.71
826	1,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)- 9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY- 2H-PYRIDO[3,4-B]INDOLE	A,B	1I30	0.71
2S3	(2S)-2-(1H-indol-3-yl)pentanoic acid	B	3C6P	0.71
CLI	3-(2-CARBOXY-ETHYL)-4,6-DICHLORO- 1H-INDOLE-2-CARBOXYLIC ACID	A,F	1LEV	0.71
TRO	2-HYDROXY-TRYPTOPHAN	A	1KB0	0.72
TRO	2-HYDROXY-TRYPTOPHAN	A	1G3P	0.72
QNO	2-NONYL-4-HYDROXYQUINOLINE N-OXIDE	C,D,E	1NU1	0.77
QNO	2-NONYL-4-HYDROXYQUINOLINE N-OXIDE	A,B,C,D,G	2E75	0.77
BP5	3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE	A	2PXH	0.7
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	0.76
BRF		A	1UUO	0.9
THA	TACRINE	A,B	2AOW	0.7
THA	TACRINE	A,B,C,D,E,F	1MX1	0.7
THA	TACRINE	A,B	2AOX	0.7
THA	TACRINE	A	1ACJ	0.7
DK1	5,7-DICHLORO-4-HYDROXYQUINOLINE- 2-CARBOXYLIC ACID	A,B	1PBQ	0.76
CMF	3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL- 2-OXOETHYL)-2-PHENYL-1H-INDOLE- 6-CARBOXYLIC ACID	A	2BRK	0.74
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE	A,B,C	1KQG	0.77
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE	A,B,C,D,E,F	2VR0	0.77
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE	A,B,C,M,N,O,P	1KF6	0.77
OFL	O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID	A	1DVZ	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	0.76
IQA	(5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN- 7-YL)-ACETIC ACID	A	1OM1	0.72
8CA	9-benzyl-2,3,4,9-tetrahydro-1H- carbazole-8-carboxylic acid	A	3FR2	0.77
HQU	3-HYDROXYQUINALDIC ACID	C,D	193D	0.82
PYA	3-(1,10-PHENANTHROL-2-YL)-L-ALANINE	A	1HCW	0.74
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	0.72
FBQ	1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN- 3-YL)METHYL]THIO}METHYL)PHENYL]- 2,2,2-TRIFLUOROETHANE-1,1-DIOL	A	1HBJ	0.73
TTR	9-ACETYL-2,3,4,9-TETRAHYDRO-1H- CARBAZOL-1-ONE	A	2D82	0.7
QUA	8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID	C	2JQ7	0.8
QUA	8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID	B	1OLN	0.8
QUA	8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID	A	1E9W	0.8
238		A	2PRH	0.85
DPY		A,B	1JES	0.7
NIO	NICOTINIC ACID	A	1JHQ	0.71
NIO	NICOTINIC ACID	A	1L5L	0.71
NIO	NICOTINIC ACID	A	2F7F	0.71
NIO	NICOTINIC ACID	A	1L5K	0.71
NIO	NICOTINIC ACID	A	1JHY	0.71
NIO	NICOTINIC ACID	A,B	1FSL	0.71
NIO	NICOTINIC ACID	A	1L5M	0.71
NIO	NICOTINIC ACID	A	1LH6	0.71
NIO	NICOTINIC ACID	A	1JHO	0.71
NIO	NICOTINIC ACID	A	3CI8	0.71
NIO	NICOTINIC ACID	A,B,C,D	1ICU	0.71
NIO	NICOTINIC ACID	A,B,C,D,E,F, G,H	3HRD	0.71
NIO	NICOTINIC ACID	A	1JHA	0.71
NIO	NICOTINIC ACID	A	1JHV	0.71
NIO	NICOTINIC ACID	A	1L4N	0.71
NIO	NICOTINIC ACID	A	2LH6	0.71
NIO	NICOTINIC ACID	A	1D0V	0.71
NIO	NICOTINIC ACID	A,B,C,D	1ICV	0.71
NIO	NICOTINIC ACID	A,B	1ICR	0.71
NIO	NICOTINIC ACID	A	1JHR	0.71
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A,B	1BM7	0.7
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	1S2C	0.7
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	2PIX	0.7
IDA	(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO- INDOL-7-YL)ACETIC ACID	A,B	1OXL	0.73
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A,B	2VJ1	0.7
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A	2V6N	0.7
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A,B	2QYN	0.77
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A,B	2QYK	0.77
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A	2QYL	0.77
HQA	3-(8-hydroxyquinolin-3-yl)-L-alanine	A,B	3FCA	0.72