MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03027476

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
D2G	N-METHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE	A,B,C,D	2FDV	0.82
NCA	NICOTINAMIDE	A,B	2E5D	0.75
NCA	NICOTINAMIDE	A,B,C,D	2Z77	0.75
NCA	NICOTINAMIDE	A,B	1DMA	0.75
NCA	NICOTINAMIDE	A,B	1ISM	0.75
NCA	NICOTINAMIDE	A,B	1YC5	0.75
NCA	NICOTINAMIDE	A	2ZB7	0.75
NCA	NICOTINAMIDE	A,B,C,D,E,F, G,H	1R15	0.75
NCA	NICOTINAMIDE	A,B	2QQG	0.75
NCA	NICOTINAMIDE	A	2OTV	0.75
NCA	NICOTINAMIDE	A	2QHF	0.75
NCA	NICOTINAMIDE	A,B,C,D	2C8A	0.75
NCA	NICOTINAMIDE	A,B	2HJH	0.75
NCA	NICOTINAMIDE	A	2A15	0.75
NCA	NICOTINAMIDE	A	2R6V	0.75
NCA	NICOTINAMIDE	A,B	1ISI	0.75
NCA	NICOTINAMIDE	A,D,E	2R9J	0.75
NCA	NICOTINAMIDE	A	2H4J	0.75
NCA	NICOTINAMIDE	A,B	2OD9	0.75
NCA	NICOTINAMIDE	A,B,C,D,E	1YC2	0.75
NCA	NICOTINAMIDE	A,B	3DZG	0.75
NCA	NICOTINAMIDE	A	1OJU	0.75
B71	3-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	2ZEU	0.71
B71	3-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	2ZEV	0.71
K27	4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium	A,B	2WHR	0.7
D1G	N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE	A,B,C,D	2FDU	0.82
POS	1-[[(4-PHENOXYPHENYL)SULFONYL]AMINO]- 3-[[N/N-(4-PYRIDINYLCARBONYL)-L- LEUCYL]AMINO]-2-PROPANOL	A	1AU2	0.73
D3G	(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE	A,B,C,D	2FDW	0.82
NIO	NICOTINIC ACID	A	1JHQ	0.74
NIO	NICOTINIC ACID	A	1L5L	0.74
NIO	NICOTINIC ACID	A	2F7F	0.74
NIO	NICOTINIC ACID	A	1L5K	0.74
NIO	NICOTINIC ACID	A	1JHY	0.74
NIO	NICOTINIC ACID	A,B	1FSL	0.74
NIO	NICOTINIC ACID	A	1L5M	0.74
NIO	NICOTINIC ACID	A	1LH6	0.74
NIO	NICOTINIC ACID	A	1JHO	0.74
NIO	NICOTINIC ACID	A	3CI8	0.74
NIO	NICOTINIC ACID	A,B,C,D	1ICU	0.74
NIO	NICOTINIC ACID	A,B,C,D,E,F, G,H	3HRD	0.74
NIO	NICOTINIC ACID	A	1JHA	0.74
NIO	NICOTINIC ACID	A	1JHV	0.74
NIO	NICOTINIC ACID	A	1L4N	0.74
NIO	NICOTINIC ACID	A	2LH6	0.74
NIO	NICOTINIC ACID	A	1D0V	0.74
NIO	NICOTINIC ACID	A,B,C,D	1ICV	0.74
NIO	NICOTINIC ACID	A,B	1ICR	0.74
NIO	NICOTINIC ACID	A	1JHR	0.74
4PY	(2S)-1-(6H-INDOL-3-YL)-3-{[5-(7H- PYRAZOLO[3,4-C]PYRIDIN-5-YL)PYRIDIN- 3-YL]OXY}PROPAN-2-AMINE	E	2OJF	0.71
608	N-(4-phenoxyphenyl)-2-[(pyridin- 4-ylmethyl)amino]nicotinamide	A,B	2P2I	0.76
3IP	3-(BENZYLOXY)PYRIDIN-2-AMINE	A	1W7H	0.73
NNO	6-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCK	0.75
NNO	6-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCM	0.75
897	N-[3-(TERT-BUTYLAMINO)-3-OXOPROPYL]- N-ISOPROPYL-3-METHYL-5-{[(2S)-2- (PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE	B,H	2UUK	0.8
BI5	4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE	A	1ZYJ	0.78
CGS	N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3- PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE	A,B,C,D	2W0D	0.71
CGS	N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3- PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE	A	3AYK	0.71
CGS	N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3- PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE	A,B	1JIZ	0.71
CGS	N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3- PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE	A	4AYK	0.71
BRL	2,4-THIAZOLIDIINEDIONE, 5-[[4-[2- (METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]- (9CL)	A,D,U,X	1FM6	0.72
BRL	2,4-THIAZOLIDIINEDIONE, 5-[[4-[2- (METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]- (9CL)	A,B	2PRG	0.72
BRL	2,4-THIAZOLIDIINEDIONE, 5-[[4-[2- (METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]- (9CL)	A	1ZGY	0.72
BRL	2,4-THIAZOLIDIINEDIONE, 5-[[4-[2- (METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]- (9CL)	A,B	3CS8	0.72
BRL	2,4-THIAZOLIDIINEDIONE, 5-[[4-[2- (METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]- (9CL)	A,D	3DZY	0.72
NNR	Nicotinamide riboside	A	2QT0	0.75
NNR	Nicotinamide riboside	A	2QT1	0.75
282	3-methoxypyridine	X	2RBZ	0.73
PIX	4-(3-{[5-(trifluoromethyl)pyridin- 2-yl]oxy}benzyl)piperidine-1-carboxylic acid	A,B	2WAP	0.71
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	0.7
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	2QSZ	0.73
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	1TA8	0.73
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	1HYB	0.73
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	3BAA	0.73
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	3BA9	0.73
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	1NUP	0.73
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	1NUS	0.73
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	1Y1P	0.73
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B,C,D,E,F	2GVG	0.73
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	3BA8	0.73
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	3BAB	0.73
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	3DZK	0.73
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B,C	1GZU	0.73
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	2H3D	0.73
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	2G96	0.73
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A	2QG6	0.73
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	1ISJ	0.73
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	3DZJ	0.73
NMN	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	A,B	2HCT	0.73
WAY	N-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)- PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL- BENZAMIDE	A	1FLS	0.74
WAY	N-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)- PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL- BENZAMIDE	A	1FM1	0.74
896	N-ETHYL-N-ISOPROPYL-3-METHYL-5- {[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE	B,H	2UUJ	0.8
PXA	2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-3-OXO(8-AZA)PHENOXAZINE	A	209D	0.73
368	(1R)-2-{[AMINO(IMINO)METHYL]AMINO}- 1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE	A	1ZLR	0.71
714	1-(2,2-diphosphonoethyl)-3-(octyloxy)pyridinium	A,B	3EFQ	0.72
NCN	NICOTINATE MONONUCLEOTIDE	A,B	2QTN	0.71
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4F	0.71
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4L	0.71
NCN	NICOTINATE MONONUCLEOTIDE	A,B,C,D	1YUM	0.71
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4M	0.71
NCN	NICOTINATE MONONUCLEOTIDE	A,B,C,D,E,F	1QPN	0.71
NCN	NICOTINATE MONONUCLEOTIDE	A,B,C	2B7Q	0.71
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4K	0.71
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4G	0.71
NCN	NICOTINATE MONONUCLEOTIDE	A	1YTK	0.71
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4H	0.71
NCN	NICOTINATE MONONUCLEOTIDE	A	1L5O	0.71
PIL	3-(CYCLOPENTYLOXY)-N-(3,5-DICHLOROPYRIDIN- 4-YL)-4-METHOXYBENZAMIDE	A,B	1XM4	0.72
PIL	3-(CYCLOPENTYLOXY)-N-(3,5-DICHLOROPYRIDIN- 4-YL)-4-METHOXYBENZAMIDE	A,B	1XON	0.72
893	5-CYANO-N-(2,5-DIMETHOXYBENZYL)- 6-ETHOXYPYRIDINE-2-CARBOXAMIDE	A,B	2H96	0.72
L11	N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL)- PHENYL]-3-FLUORO-	A	1W83	0.73
BI9	2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN- 4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)- N-METHYLBENZAMIDE	A	2JKK	0.7
722	1-(2,2-diphosphonoethyl)-3-(heptyloxy)pyridinium	A,B	3EGT	0.72
547	2,3-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3- B]PYRIDIN-4-AMINE	A	2OF2	0.7
BT1	{2-[4-(2-PYRROLIDIN-1-YL-ETHOXY)- PHENYL]-BENZO[B]THIOPHEN-3-YL}- [4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL]- METHANONE	B,H	1D3T	0.72
721	3-butoxy-1-(2,2-diphosphonoethyl)pyridinium	A,B	3DYH	0.73