MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02983139

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
NCA	NICOTINAMIDE	A,B	2E5D	0.73
NCA	NICOTINAMIDE	A,B,C,D	2Z77	0.73
NCA	NICOTINAMIDE	A,B	1DMA	0.73
NCA	NICOTINAMIDE	A,B	1ISM	0.73
NCA	NICOTINAMIDE	A,B	1YC5	0.73
NCA	NICOTINAMIDE	A	2ZB7	0.73
NCA	NICOTINAMIDE	A,B,C,D,E,F, G,H	1R15	0.73
NCA	NICOTINAMIDE	A,B	2QQG	0.73
NCA	NICOTINAMIDE	A	2OTV	0.73
NCA	NICOTINAMIDE	A	2QHF	0.73
NCA	NICOTINAMIDE	A,B,C,D	2C8A	0.73
NCA	NICOTINAMIDE	A,B	2HJH	0.73
NCA	NICOTINAMIDE	A	2A15	0.73
NCA	NICOTINAMIDE	A	2R6V	0.73
NCA	NICOTINAMIDE	A,B	1ISI	0.73
NCA	NICOTINAMIDE	A,D,E	2R9J	0.73
NCA	NICOTINAMIDE	A	2H4J	0.73
NCA	NICOTINAMIDE	A,B	2OD9	0.73
NCA	NICOTINAMIDE	A,B,C,D,E	1YC2	0.73
NCA	NICOTINAMIDE	A,B	3DZG	0.73
NCA	NICOTINAMIDE	A	1OJU	0.73
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	0.72
NIO	NICOTINIC ACID	A	1JHQ	0.75
NIO	NICOTINIC ACID	A	1L5L	0.75
NIO	NICOTINIC ACID	A	2F7F	0.75
NIO	NICOTINIC ACID	A	1L5K	0.75
NIO	NICOTINIC ACID	A	1JHY	0.75
NIO	NICOTINIC ACID	A,B	1FSL	0.75
NIO	NICOTINIC ACID	A	1L5M	0.75
NIO	NICOTINIC ACID	A	1LH6	0.75
NIO	NICOTINIC ACID	A	1JHO	0.75
NIO	NICOTINIC ACID	A	3CI8	0.75
NIO	NICOTINIC ACID	A,B,C,D	1ICU	0.75
NIO	NICOTINIC ACID	A,B,C,D,E,F, G,H	3HRD	0.75
NIO	NICOTINIC ACID	A	1JHA	0.75
NIO	NICOTINIC ACID	A	1JHV	0.75
NIO	NICOTINIC ACID	A	1L4N	0.75
NIO	NICOTINIC ACID	A	2LH6	0.75
NIO	NICOTINIC ACID	A	1D0V	0.75
NIO	NICOTINIC ACID	A,B,C,D	1ICV	0.75
NIO	NICOTINIC ACID	A,B	1ICR	0.75
NIO	NICOTINIC ACID	A	1JHR	0.75
608	N-(4-phenoxyphenyl)-2-[(pyridin- 4-ylmethyl)amino]nicotinamide	A,B	2P2I	0.71
39Z	5-HYDROXY-3-[(1R)-1-(1H-PYRROL- 2-YL)ETHYL]-2H-INDOL-2-ONE	A	2PE0	0.71
NA4	4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)- PYRIDIN-3-YL]-BENZOIC ACID	A,C	1RHM	0.75
BLP	(5-HYDROXY-6-METHYL-4-((2-(2-(2- NITROBENZAMIDO)ACETYL)HYDRAZINYL)METHYL)PYRIDIN- 3-YL)METHYL DIHYDROGEN PHOSPHATE	A,B	2GQN	0.71
HQA	3-(8-hydroxyquinolin-3-yl)-L-alanine	A,B	3FCA	0.71
896	N-ETHYL-N-ISOPROPYL-3-METHYL-5- {[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE	B,H	2UUJ	0.72
R96	N-[4-({4-[5-(3,3-DIMETHYLPIPERIDIN- 1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN- 3-YL]ISONICOTINAMIDE	A	1XH7	0.73
BI5	4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE	A	1ZYJ	0.72
24X		H,L	2EC9	0.7
WAY	N-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)- PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL- BENZAMIDE	A	1FLS	0.73
WAY	N-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)- PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL- BENZAMIDE	A	1FM1	0.73
P3F	PHOSPHORIC ACID MONO-(5-HYDROXY- 6-METHYL-4-{[2-(2-TRIFLUOROMETHYL- BENZOYLAMINO)-ACETYL]-HYDRAZONOMETHYL}- PYRIDIN-3-YLMETHYL)ESTER	A,B	2FQ6	0.72
BDE	N'-[(1E)-(3,5-DIBROMO-2,4-DIHYDROXYPHENYL)METHYLENE]NICOTINOHYDRAZIDE	A,B,C,D,E,F	2GLP	0.86
I08	(3R,4S)-N-(4-{TRANS-2-[4-(2-FLUORO- 6-HYDROXY-3-METHOXY-BENZOYL)-PHENYL]- VINYL}-AZEPAN-3-YL)-ISONICOTINAMIDE	A	1SVH	0.73
R68	N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN- 2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN- 3-YL}ISONICOTINAMIDE	A	1XHA	0.73
R68	N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN- 2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN- 3-YL}ISONICOTINAMIDE	A,B	1XH5	0.73
R94	N-(4-{[4-(2-HYDROXY-5-PIPERIDIN- 1-YLBENZOYL)BENZOYL]AMINO}AZEPAN- 3-YL)ISONICOTINAMIDE	A	1XH6	0.74
D3G	(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE	A,B,C,D	2FDW	0.74
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	0.72
ASE	N-ACETYL SEROTONIN	A	1NAS	0.7
D2G	N-METHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE	A,B,C,D	2FDV	0.73
I04	N-{(3R,4R)-4-[4-(2-FLUORO-6-HYDROXY- 3-METHOXY-BENZOYL)-BENZOYLAMINO]- AZEPAN-3-YL}ISONICOTINAMIDE	A	1SVG	0.74
R55	N-[4-({4-[5-(4,4-DIMETHYLPIPERIDIN- 1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN- 3-YL]ISONICOTINAMIDE	A	1XH8	0.73
897	N-[3-(TERT-BUTYLAMINO)-3-OXOPROPYL]- N-ISOPROPYL-3-METHYL-5-{[(2S)-2- (PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE	B,H	2UUK	0.72
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	0.75
3HM	5-hydroxy-6-methylpyridine-3-carboxylic acid	A,B	3GMC	0.73
D1G	N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE	A,B,C,D	2FDU	0.73
859	2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN- 4-YL}AMINO)BENZAMIDE	A,B	2NO3	0.75
PYU	2-(1H-pyrrol-1-ylcarbonyl)benzene- 1,3,5-triol	A,B	3EKO	0.74
PXG	3-[O-PHOSPHONOPYRIDOXYL]--AMINO- BENZOIC ACID	A	1B9I	0.71
INO	2-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCL	0.72
INO	2-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCJ	0.72
I05	(3R,4R)-N-{4-[4-(2-FLUORO-6-HYDROXY- 3-METHOXY-BENZOYL)-BENZYLOXY]-AZEPAN- 3-YL}-ISONICOTINAMIDE	A	1VEB	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
NNO	6-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCK	0.76
NNO	6-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCM	0.76
NFL	2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID	A	1TD7	0.72
R69	N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN- 3-YL]ISONICOTINAMIDE	A	1XH4	0.76
R69	N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN- 3-YL]ISONICOTINAMIDE	A	1XH9	0.76
POF	(4aS,4bR,10bS,12aS)-12a-methyl- 1,3-dioxo-2-(pyridin-3-ylmethyl)- 1,2,3,4,4a,4b,5,6,10b,11,12,12a- dodecahydronaphtho[2,1-f]isoquinolin- 8-yl sulfamate	A	3C7P	0.71
MYT	METYRAPONE	A	1PHG	0.7
MYT	METYRAPONE	A	1W0G	0.7