MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01667708

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
BRE	2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID	A	1D3G	0.9
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B,C	2W2I	0.72
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A	2GKL	0.72
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2VD7	0.72
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2JIG	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	0.78
ICO	1H-INDOLE-3-CARBOXYLIC ACID	L	2PIP	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	0.77
8AD	9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE- 4-CARBOXAMIDE	A,B	1FN2	0.71
8AD	9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE- 4-CARBOXAMIDE	A,B	1FN1	0.71
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
826	1,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)- 9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY- 2H-PYRIDO[3,4-B]INDOLE	A,B	1I30	0.72
550	methyl (1R,2S)-2-(hydroxycarbamoyl)- 1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate	A,B	3EDZ	0.71
IDA	(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO- INDOL-7-YL)ACETIC ACID	A,B	1OXL	0.71
NHR	2-{4-[2-(2-AMINO-4-HYDROXY-QUINAZOLIN- 6-YL)-1-CARBOXY-ETHYL]-BENZOYLAMINO}- PENTANEDIOIC ACID	A,B	1C3E	0.72
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
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
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
1IQ	2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5- DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE- 3-CARBOXYLIC ACID	A	1Z8N	0.79
FIC	5-fluoroindole-2-carboxylic acid	A,B	3DWS	0.73
BMS		A,B	1DKF	0.78
CMF	3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL- 2-OXOETHYL)-2-PHENYL-1H-INDOLE- 6-CARBOXYLIC ACID	A	2BRK	0.76
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
7AD	9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE- 4-CARBOXAMIDE	A,B	1RQY	0.71
9AC	9-ACRIDINECARBONYL	A,B,G,J,K,L,M	1G3X	0.79
I4A	5-(3-carbamoylbenzyl)-5,6,7,8,9,10- hexahydrocyclohepta[b]indole-4- carboxylic acid	A	3FR5	0.77
VX3	2,3-diphenyl-1H-indole-7-carboxylic acid	A	3BGZ	0.78
8CA	9-benzyl-2,3,4,9-tetrahydro-1H- carbazole-8-carboxylic acid	A	3FR2	0.78
BRF		A	1UUO	0.9
PYA	3-(1,10-PHENANTHROL-2-YL)-L-ALANINE	A	1HCW	0.73
QUA	8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID	C	2JQ7	0.76
QUA	8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID	B	1OLN	0.76
QUA	8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID	A	1E9W	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	0.73
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PC2	0.75
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B,C,D	1ARZ	0.75
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PE7	0.75
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PES	0.75
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B	1C3V	0.75
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B	1P9L	0.75
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
QNO	2-NONYL-4-HYDROXYQUINOLINE N-OXIDE	C,D,E	1NU1	0.74
QNO	2-NONYL-4-HYDROXYQUINOLINE N-OXIDE	A,B,C,D,G	2E75	0.74
F8A	9-[2-(trifluoromethyl)benzyl]-2,3,4,9- tetrahydro-1H-carbazole-8-carboxylic acid	A	3FR4	0.76
238		A	2PRH	0.85
CRZ	4-(9H-CARBAZOL-9-YL)BUTANOIC ACID	A	1TOW	0.71
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE	A,B,C	1KQG	0.74
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE	A,B,C,D,E,F	2VR0	0.74
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE	A,B,C,M,N,O,P	1KF6	0.74
QND	QUINALDIC ACID	A,B	1IDA	0.86
9HP	9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINE	A	1PMU	0.71
IQA	(5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN- 7-YL)-ACETIC ACID	A	1OM1	0.74
772	2-CYANOQUINOLIN-8-YL DIHYDROGEN PHOSPHATE	A	1O4H	0.71