MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00829712

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
PXG	3-[O-PHOSPHONOPYRIDOXYL]--AMINO- BENZOIC ACID	A	1B9I	0.72
SU1	3-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL- 2-YL)METHYLENE]-2-INDOLINONE	A,B	1FGI	0.72
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
AR2	ARGINYL-BENZOTHIAZOLE-6-CARBOXYLIC ACID	A,B,I	1DOJ	0.75
NA4	4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)- PYRIDIN-3-YL]-BENZOIC ACID	A,C	1RHM	0.75
NHB	N-HYDROXY-4-(METHYL{[5-(2-PYRIDINYL)- 2-THIENYL]SULFONYL}AMINO)BENZAMIDE	A,B	1W22	0.73
P10	[1-(3-HYDROXY-2-OXO-1-PHENETHYL- PROPYLCARBAMOYL)2-PHENYL-ETHYL]- CARBAMIC ACID PYRIDIN-4-YLMETHYL ESTER	A	1ME3	0.71
OAI	6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID	A	1C83	0.73
PF3	(2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]- THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC ACID	A,B	1UTZ	0.79
IAC	1H-INDOL-3-YLACETIC ACID	B	2P1Q	0.7
IAC	1H-INDOL-3-YLACETIC ACID	A	2OYF	0.7
IAC	1H-INDOL-3-YLACETIC ACID	A,B	3FVU	0.7
IAC	1H-INDOL-3-YLACETIC ACID	B	2P1P	0.7
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	0.75
BMS		A,B	1DKF	0.78
TYZ	PARA ACETAMIDO BENZOIC ACID	B,C	2BNI	0.72
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5K	0.72
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5J	0.72
TPV	N-(3-{(1R)-1-[(6R)-4-HYDROXY-2- OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO- 2H-PYRAN-3-YL]PROPYL}PHENYL)-5- (TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE	A,B	2O4P	0.71
TPV	N-(3-{(1R)-1-[(6R)-4-HYDROXY-2- OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO- 2H-PYRAN-3-YL]PROPYL}PHENYL)-5- (TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE	A	1D4S	0.71
TPV	N-(3-{(1R)-1-[(6R)-4-HYDROXY-2- OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO- 2H-PYRAN-3-YL]PROPYL}PHENYL)-5- (TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE	A,B	2O4L	0.71
TPV	N-(3-{(1R)-1-[(6R)-4-HYDROXY-2- OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO- 2H-PYRAN-3-YL]PROPYL}PHENYL)-5- (TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE	A	1D4Y	0.71
TPV	N-(3-{(1R)-1-[(6R)-4-HYDROXY-2- OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO- 2H-PYRAN-3-YL]PROPYL}PHENYL)-5- (TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE	A,B	2O4N	0.71
NFL	2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID	A	1TD7	0.75
PSZ	4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN- 4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID	A	2QB3	0.73
PSZ	4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN- 4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID	A	2QB2	0.73
PSZ	4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN- 4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID	A	2QBT	0.73
PSZ	4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN- 4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID	A	2QA3	0.73
PSZ	4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN- 4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID	A	2Q7W	0.73
SAS	2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID	A,B	13GS	0.71
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	0.73
DGB	N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE	A,B	2G97	0.72
DGB	N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE	A,B	2GVJ	0.72
ST3	4-(ACETYLAMINO)-3-AMINO BENZOIC ACID	A,B	1IVE	0.7
BP5	3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE	A	2PXH	0.72
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
32T	(S)-2-AMINO-3-(4H-THIENO[3,2-B]- PYRROL-6-YL)-PROPIONIC ACID	A	1RMO	0.71
24X		H,L	2EC9	0.73
PRR	3-(METHYL-PYRIDINIUM)ALANINE	H,I,J	7KME	0.73
ICO	1H-INDOLE-3-CARBOXYLIC ACID	L	2PIP	0.71
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
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLN	0.71
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLO	0.71
4PP		C,L	1XKA	0.73
4PP		A,B,C,D	1XKB	0.73
PMC	3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1I43	0.71