MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03071252

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
238		A	2PRH	0.88
POO	3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN- 3-YL)METHYL]AMINO}-2-OXOETHYL)- 2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID	A	2BRL	0.78
ICO	1H-INDOLE-3-CARBOXYLIC ACID	L	2PIP	0.74
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
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	0.71
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	2FJN	0.71
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	0.77
8CA	9-benzyl-2,3,4,9-tetrahydro-1H- carbazole-8-carboxylic acid	A	3FR2	0.79
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
A80	N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID	A	2CBR	0.71
MTK	MONTELUKAST	A	2NNI	0.73
DK1	5,7-DICHLORO-4-HYDROXYQUINOLINE- 2-CARBOXYLIC ACID	A,B	1PBQ	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1CQ1	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1OTW	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1C9U	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1W6S	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1FLG	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A	1KV9	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD6	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1CRU	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1H4I	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD7	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD8	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,D,I	2D0V	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,C	4AAH	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,C,E,G	1H4J	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A	1KB0	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A	1YIQ	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1LRW	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1G72	0.72
HQU	3-HYDROXYQUINALDIC ACID	C,D	193D	0.78
9HP	9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINE	A	1PMU	0.72
CMF	3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL- 2-OXOETHYL)-2-PHENYL-1H-INDOLE- 6-CARBOXYLIC ACID	A	2BRK	0.76
BMS		A,B	1DKF	0.77
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A,B	2QYN	0.79
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A,B	2QYK	0.79
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A	2QYL	0.79
9AC	9-ACRIDINECARBONYL	A,B,G,J,K,L,M	1G3X	0.79
OFL	O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID	A	1DVZ	0.73
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
QND	QUINALDIC ACID	A,B	1IDA	0.87
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
NHR	2-{4-[2-(2-AMINO-4-HYDROXY-QUINAZOLIN- 6-YL)-1-CARBOXY-ETHYL]-BENZOYLAMINO}- PENTANEDIOIC ACID	A,B	1C3E	0.71
IDA	(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO- INDOL-7-YL)ACETIC ACID	A,B	1OXL	0.72
116	7-[4-(4-FLUORO-PHENYL)-5-HYDROXYMETHYL- 2,6-DIISOPROPYL-PYRIDIN-3-YL]-3,5- DIHYDROXY-HEPTANOIC ACID	A,B,C,D	1HWJ	0.71
FBQ	1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN- 3-YL)METHYL]THIO}METHYL)PHENYL]- 2,2,2-TRIFLUOROETHANE-1,1-DIOL	A	1HBJ	0.78
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
BRE	2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID	A	1D3G	0.93
8AD	9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE- 4-CARBOXAMIDE	A,B	1FN2	0.7
8AD	9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE- 4-CARBOXAMIDE	A,B	1FN1	0.7
IQA	(5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN- 7-YL)-ACETIC ACID	A	1OM1	0.72
4PP		C,L	1XKA	0.7
4PP		A,B,C,D	1XKB	0.7
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
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A,B	1BM7	0.73
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	1S2C	0.73
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	2PIX	0.73
F8A	9-[2-(trifluoromethyl)benzyl]-2,3,4,9- tetrahydro-1H-carbazole-8-carboxylic acid	A	3FR4	0.81
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	0.77
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
IMM	1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE- 3-ACETIC ACID	A,B	1PGF	0.71
IMM	1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE- 3-ACETIC ACID	A,B	1PGG	0.71
VX3	2,3-diphenyl-1H-indole-7-carboxylic acid	A	3BGZ	0.79
2T1	2-[({4-[2-(trifluoromethyl)phenyl]piperidin- 1-yl}carbonyl)amino]benzoic acid	A,B	3FMZ	0.7
CRZ	4-(9H-CARBAZOL-9-YL)BUTANOIC ACID	A	1TOW	0.71
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
7AD	9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE- 4-CARBOXAMIDE	A,B	1RQY	0.7
BRF		A	1UUO	0.94
PYA	3-(1,10-PHENANTHROL-2-YL)-L-ALANINE	A	1HCW	0.72