MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00591492

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
NA3	(3S)-3-{[(5-BROMOPYRIDIN-3-YL)CARBONYL]AMINO}- 4-OXOBUTANOIC ACID	A	1RE1	0.75
F10	2-[2-(2-FLUOROPHENYL)PYRIDIN-4- YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2- C]PYRIDIN-4-ONE	X	2P3G	0.7
BFA	9-BROMO-PHENAZINE-1-CARBOXYLIC ACID (2- DIMETHYLAMINO-ETHYL)-AMIDE	A,B	1EG6	0.71
MIL	MILRINONE	A,B	1TLM	0.7
246	1-benzyl-3-(2-chloropyridin-4-yl)urea	A	2QPM	0.74
NCA	NICOTINAMIDE	A,B	2E5D	0.78
NCA	NICOTINAMIDE	A,B,C,D	2Z77	0.78
NCA	NICOTINAMIDE	A,B	1DMA	0.78
NCA	NICOTINAMIDE	A,B	1ISM	0.78
NCA	NICOTINAMIDE	A,B	1YC5	0.78
NCA	NICOTINAMIDE	A	2ZB7	0.78
NCA	NICOTINAMIDE	A,B,C,D,E,F, G,H	1R15	0.78
NCA	NICOTINAMIDE	A,B	2QQG	0.78
NCA	NICOTINAMIDE	A	2OTV	0.78
NCA	NICOTINAMIDE	A	2QHF	0.78
NCA	NICOTINAMIDE	A,B,C,D	2C8A	0.78
NCA	NICOTINAMIDE	A,B	2HJH	0.78
NCA	NICOTINAMIDE	A	2A15	0.78
NCA	NICOTINAMIDE	A	2R6V	0.78
NCA	NICOTINAMIDE	A,B	1ISI	0.78
NCA	NICOTINAMIDE	A,D,E	2R9J	0.78
NCA	NICOTINAMIDE	A	2H4J	0.78
NCA	NICOTINAMIDE	A,B	2OD9	0.78
NCA	NICOTINAMIDE	A,B,C,D,E	1YC2	0.78
NCA	NICOTINAMIDE	A,B	3DZG	0.78
NCA	NICOTINAMIDE	A	1OJU	0.78
11X	N-(pyridin-3-ylmethyl)aniline	A	3EJ0	0.71
14C	2-(2-chloropyridin-4-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione	A	3C06	0.73
14C	2-(2-chloropyridin-4-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione	A	3C0A	0.73
336	4-{2-[4-(3,10-DIBROMO-8-CHLORO- 6,11-DIHYDRO-5H-BENZO[5,6]CYCLOHEPTA[1,2- B]PYRIDIN-11-YL)PIPERIDIN-1-YL]- 2-OXOETHYL}PIPERIDINE-1-CARBOXAMIDE	B	1O5M	0.72
8ST	N-(4-chlorophenyl)-2-[(pyridin- 4-ylmethyl)amino]benzamide	A	3HNG	0.82
CNQ	3-(4-CHLOROPHENYL)QUINOXALINE-5- CARBOXAMIDE	A,B,C,D	1WOK	0.76
BRT	5-BROMONICOTINAMIDE	A,B	1GXZ	0.83
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	0.72
IHZ	5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine- 3-carboxamide	A	3DKO	0.73
245	1-(2-chloropyridin-4-yl)-3-phenylurea	A	2QKN	0.73
PM2	1-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN- 3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE	A,B,C,D	2BM2	0.71
DGB	N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE	A,B	2G97	0.73
DGB	N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE	A,B	2GVJ	0.73
1CM	(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE	A	2CI0	0.72