MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00043179

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
PY7	PYRIDIN-4-YLMETHANOL	A	2EUR	0.72
897	N-[3-(TERT-BUTYLAMINO)-3-OXOPROPYL]- N-ISOPROPYL-3-METHYL-5-{[(2S)-2- (PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE	B,H	2UUK	0.76
PIX	4-(3-{[5-(trifluoromethyl)pyridin- 2-yl]oxy}benzyl)piperidine-1-carboxylic acid	A,B	2WAP	0.7
INO	2-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCL	0.81
INO	2-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCJ	0.81
NNO	6-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCK	0.74
NNO	6-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCM	0.74
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
NCA	NICOTINAMIDE	A,B	2E5D	0.74
NCA	NICOTINAMIDE	A,B,C,D	2Z77	0.74
NCA	NICOTINAMIDE	A,B	1DMA	0.74
NCA	NICOTINAMIDE	A,B	1ISM	0.74
NCA	NICOTINAMIDE	A,B	1YC5	0.74
NCA	NICOTINAMIDE	A	2ZB7	0.74
NCA	NICOTINAMIDE	A,B,C,D,E,F, G,H	1R15	0.74
NCA	NICOTINAMIDE	A,B	2QQG	0.74
NCA	NICOTINAMIDE	A	2OTV	0.74
NCA	NICOTINAMIDE	A	2QHF	0.74
NCA	NICOTINAMIDE	A,B,C,D	2C8A	0.74
NCA	NICOTINAMIDE	A,B	2HJH	0.74
NCA	NICOTINAMIDE	A	2A15	0.74
NCA	NICOTINAMIDE	A	2R6V	0.74
NCA	NICOTINAMIDE	A,B	1ISI	0.74
NCA	NICOTINAMIDE	A,D,E	2R9J	0.74
NCA	NICOTINAMIDE	A	2H4J	0.74
NCA	NICOTINAMIDE	A,B	2OD9	0.74
NCA	NICOTINAMIDE	A,B,C,D,E	1YC2	0.74
NCA	NICOTINAMIDE	A,B	3DZG	0.74
NCA	NICOTINAMIDE	A	1OJU	0.74
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHQ	0.74
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHP	0.74
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2GYU	0.74
3IP	3-(BENZYLOXY)PYRIDIN-2-AMINE	A	1W7H	0.72
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B,C,D	1W6F	0.77
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2V2E	0.77
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	X	2VCF	0.77
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCS	0.77
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCN	0.77
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B	1XR3	0.77
I05	(3R,4R)-N-{4-[4-(2-FLUORO-6-HYDROXY- 3-METHOXY-BENZOYL)-BENZYLOXY]-AZEPAN- 3-YL}-ISONICOTINAMIDE	A	1VEB	0.7
BI5	4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE	A	1ZYJ	0.77
PYF	3-PYRIDINYLCARBINOL	A,B	1R16	0.7
K27	4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium	A,B	2WHR	0.74
PIL	3-(CYCLOPENTYLOXY)-N-(3,5-DICHLOROPYRIDIN- 4-YL)-4-METHOXYBENZAMIDE	A,B	1XM4	0.71
PIL	3-(CYCLOPENTYLOXY)-N-(3,5-DICHLOROPYRIDIN- 4-YL)-4-METHOXYBENZAMIDE	A,B	1XON	0.71
893	5-CYANO-N-(2,5-DIMETHOXYBENZYL)- 6-ETHOXYPYRIDINE-2-CARBOXAMIDE	A,B	2H96	0.71
896	N-ETHYL-N-ISOPROPYL-3-METHYL-5- {[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE	B,H	2UUJ	0.78
D2G	N-METHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE	A,B,C,D	2FDV	0.76
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
PAA	(N-METHYLPYRIDYL)ACETIC ACID	I	1HBT	0.72
608	N-(4-phenoxyphenyl)-2-[(pyridin- 4-ylmethyl)amino]nicotinamide	A,B	2P2I	0.72
KIN	1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3- [3-(TRIFLUOROMETHYL)PHENYL]UREA	A	2HZN	0.72
D1G	N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE	A,B,C,D	2FDU	0.75
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	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
MIL	MILRINONE	A,B	1TLM	0.71
CGS	N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3- PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE	A,B,C,D	2W0D	0.73
CGS	N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3- PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE	A	3AYK	0.73
CGS	N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3- PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE	A,B	1JIZ	0.73
CGS	N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3- PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE	A	4AYK	0.73
721	3-butoxy-1-(2,2-diphosphonoethyl)pyridinium	A,B	3DYH	0.7
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEY	0.73
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEZ	0.73
POS	1-[[(4-PHENOXYPHENYL)SULFONYL]AMINO]- 3-[[N/N-(4-PYRIDINYLCARBONYL)-L- LEUCYL]AMINO]-2-PROPANOL	A	1AU2	0.71
D3G	(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE	A,B,C,D	2FDW	0.77
I08	(3R,4S)-N-(4-{TRANS-2-[4-(2-FLUORO- 6-HYDROXY-3-METHOXY-BENZOYL)-PHENYL]- VINYL}-AZEPAN-3-YL)-ISONICOTINAMIDE	A	1SVH	0.72
I04	N-{(3R,4R)-4-[4-(2-FLUORO-6-HYDROXY- 3-METHOXY-BENZOYL)-BENZOYLAMINO]- AZEPAN-3-YL}ISONICOTINAMIDE	A	1SVG	0.72
282	3-methoxypyridine	X	2RBZ	0.77