MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03512161

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
364	3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2- DIPHOSPHONOETHYL)PYRIDINIUM	A,B	2E94	0.71
SPY	4-HYDROSULFONYLPYRIDINE	A,B	1IDB	0.71
HFS	1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINE	E	2ERZ	0.79
HFS	1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINE	A,B	2ETK	0.79
ELP	(1R)-1-[((1E)-{3-HYDROXY-2-METHYL- 5-[(PHOSPHONOOXY)METHYL]PYRIDIN- 4-YL}METHYLENE)AMINO]-1-PHENYLETHYLPHOSPHONIC ACID	A	1M0P	0.7
PIU	1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}- 2,4,6-TRIMETHYLPYRIDINIUM	A	1ZE8	0.74
IQS	N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE	E	1YDS	0.75
H52	(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]- HOMOPIPERAZINE	A	1Q8U	0.71
H52	(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]- HOMOPIPERAZINE	A,B	3D9V	0.71
H52	(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]- HOMOPIPERAZINE	A	2GNH	0.71
H52	(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]- HOMOPIPERAZINE	A	2GNL	0.71
IQU	N-(2-AMINOETHYL)ISOQUINOLINE-5- SULFONAMIDE	A,B,C,D	2CKE	0.77
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	0.72
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	1D4S	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	2O4L	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	1D4Y	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	2O4N	0.72
PY7	PYRIDIN-4-YLMETHANOL	A	2EUR	0.74
IQP	1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE	E	1YDR	0.77
NPM	N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE	A,B	2ET0	0.71
CMW	3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin- 4-ylcarbamate	A	2W0B	0.73
9HP	9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINE	A	1PMU	0.72
5CH	5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]- 2,3'-bipyridine	A	3CFL	0.73
M2C	(2S)-2-AMINO-4-(METHYLSULFANYL)- 1-PYRIDIN-2-YLBUTANE-1,1-DIOL	A	1QXY	0.71
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
PYF	3-PYRIDINYLCARBINOL	A,B	1R16	0.78
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	0.71
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	1YV5	0.72
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A,B	1RQJ	0.72
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	1YQ7	0.72
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	1YHL	0.72
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	2QIS	0.72
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A,B	2O1O	0.72
CQP	(4R,2S)-5'-(4-(4-CHLOROBENZYLOXY)PYRROLIDIN- 2-YLMETHANESULFONYL)ISOQUINOLINE	A	2C1B	0.71
IQB	N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]- 5-ISOQUINOLINE SULFONAMIDE	E	1YDT	0.72
IQB	N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]- 5-ISOQUINOLINE SULFONAMIDE	A	3FMD	0.72
I5S	ISOQUINOLINE-5-SULFONIC ACID (2- (2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE	A	2JDO	0.73
I5S	ISOQUINOLINE-5-SULFONIC ACID (2- (2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE	A	2JDT	0.73
I5S	ISOQUINOLINE-5-SULFONIC ACID (2- (2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE	A	2C1A	0.73
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A,B	2ESM	0.74
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A,B	2F2U	0.74
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A	2GNI	0.74
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A	1Q8W	0.74
I48	N-{3-METHYL-5-[2-(PYRIDIN-4-YLAMINO)- ETHOXY]-PHENYL}-BENZENESULFONAMIDE	H	1UVT	0.7
PAA	(N-METHYLPYRIDYL)ACETIC ACID	I	1HBT	0.7
I10	1-[2-(3-BIPHENYL)-4-METHYLVALERYL)]AMINO- 3-(2-PYRIDYLSULFONYL)AMINO-2-PROPANONE	A	1BGO	0.72
OBI	1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME	A,B	2GYW	0.71
NIO	NICOTINIC ACID	A	1JHQ	0.71
NIO	NICOTINIC ACID	A	1L5L	0.71
NIO	NICOTINIC ACID	A	2F7F	0.71
NIO	NICOTINIC ACID	A	1L5K	0.71
NIO	NICOTINIC ACID	A	1JHY	0.71
NIO	NICOTINIC ACID	A,B	1FSL	0.71
NIO	NICOTINIC ACID	A	1L5M	0.71
NIO	NICOTINIC ACID	A	1LH6	0.71
NIO	NICOTINIC ACID	A	1JHO	0.71
NIO	NICOTINIC ACID	A	3CI8	0.71
NIO	NICOTINIC ACID	A,B,C,D	1ICU	0.71
NIO	NICOTINIC ACID	A,B,C,D,E,F, G,H	3HRD	0.71
NIO	NICOTINIC ACID	A	1JHA	0.71
NIO	NICOTINIC ACID	A	1JHV	0.71
NIO	NICOTINIC ACID	A	1L4N	0.71
NIO	NICOTINIC ACID	A	2LH6	0.71
NIO	NICOTINIC ACID	A	1D0V	0.71
NIO	NICOTINIC ACID	A,B,C,D	1ICV	0.71
NIO	NICOTINIC ACID	A,B	1ICR	0.71
NIO	NICOTINIC ACID	A	1JHR	0.71
444	N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2- TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE	A	1UPV	0.7
444	N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2- TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE	A,B	2O9I	0.7
444	N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2- TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE	A,B,C,D	1PQC	0.7
444	N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2- TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE	A,B	1UHL	0.7
444	N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2- TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE	A	1UPW	0.7