MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02137526

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
INO	2-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCL	0.71
INO	2-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCJ	0.71
982	3-(CARBOXYMETHOXY)THIENO[2,3-B]PYRIDINE- 2-CARBOXYLIC ACID	A	2AZR	0.78
TEI	2-(3-CYANO-4-ISOBUTOXY-PHENYL)- 4-METHYL-5-THIAZOLE-CARBOXYLIC ACID	A,B	1N5X	0.71
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
BQN	4-{(2E)-3-[4-{[2-(pyridin-3-ylmethoxy)phenyl]sulfanyl}- 2,3-bis(trifluoromethyl)phenyl]prop- 2-enoyl}morpholine	B,C	3BQN	0.72
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
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
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
D2G	N-METHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE	A,B,C,D	2FDV	0.72
PSZ	4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN- 4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID	A	2QB3	0.7
PSZ	4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN- 4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID	A	2QB2	0.7
PSZ	4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN- 4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID	A	2QBT	0.7
PSZ	4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN- 4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID	A	2QA3	0.7
PSZ	4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN- 4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID	A	2Q7W	0.7
D3G	(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE	A,B,C,D	2FDW	0.72
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	0.7
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
NTM	QUINOLINIC ACID	A	3C2O	0.72
NTM	QUINOLINIC ACID	A,B	1QAP	0.72
NTM	QUINOLINIC ACID	A,B,C,D,E,F	1QPQ	0.72
NTM	QUINOLINIC ACID	A,B,C	2B7N	0.72