MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02667699

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Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
QMS	N-(QUINOLIN-8-YL)METHANESULFONAMIDE	A	2BB7	0.72
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEY	0.71
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEZ	0.71
CKI	N-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE- 8-SULFONAMIDE	A	2CSN	0.73
SBR	(R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)- 4-SULFAMOYL-BENZAMIDE	A	1IF7	0.71
K27	4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium	A,B	2WHR	0.72
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D	2RFQ	0.71
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	2GA4	0.71
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	1R4P	0.71
NHB	N-HYDROXY-4-(METHYL{[5-(2-PYRIDINYL)- 2-THIENYL]SULFONYL}AMINO)BENZAMIDE	A,B	1W22	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	0.74
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	0.74
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	0.74
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	0.74
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	0.74
793	3-{[(1R)-1-phenylethyl]amino}-4- (pyridin-4-ylamino)cyclobut-3-ene- 1,2-dione	A	3FPM	0.72
5CH	5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]- 2,3'-bipyridine	A	3CFL	0.71
2SM	methyl 2-{[(4-methylpyrimidin-2- yl)carbamoyl]sulfamoyl}benzoate	A	3EA4	0.7
BP5	3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE	A	2PXH	0.7
IQU	N-(2-AMINOETHYL)ISOQUINOLINE-5- SULFONAMIDE	A,B,C,D	2CKE	0.81
5IQ	ISOQUINOLIN-5-AMINE	A,B	2F2T	0.7
ISQ	ISOQUINOLINE	A	1GDK	0.7
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	0.7
I10	1-[2-(3-BIPHENYL)-4-METHYLVALERYL)]AMINO- 3-(2-PYRIDYLSULFONYL)AMINO-2-PROPANONE	A	1BGO	0.75
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
11X	N-(pyridin-3-ylmethyl)aniline	A	3EJ0	0.74
PRR	3-(METHYL-PYRIDINIUM)ALANINE	H,I,J	7KME	0.72
985	(2E)-3-{3-[6-(4-methyl-1,4-diazepan- 1-yl)pyrazin-2-yl]phenyl}prop-2- enoic acid	A	3F2A	0.71
IQS	N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE	E	1YDS	0.79
NCA	NICOTINAMIDE	A,B	2E5D	0.71
NCA	NICOTINAMIDE	A,B,C,D	2Z77	0.71
NCA	NICOTINAMIDE	A,B	1DMA	0.71
NCA	NICOTINAMIDE	A,B	1ISM	0.71
NCA	NICOTINAMIDE	A,B	1YC5	0.71
NCA	NICOTINAMIDE	A	2ZB7	0.71
NCA	NICOTINAMIDE	A,B,C,D,E,F, G,H	1R15	0.71
NCA	NICOTINAMIDE	A,B	2QQG	0.71
NCA	NICOTINAMIDE	A	2OTV	0.71
NCA	NICOTINAMIDE	A	2QHF	0.71
NCA	NICOTINAMIDE	A,B,C,D	2C8A	0.71
NCA	NICOTINAMIDE	A,B	2HJH	0.71
NCA	NICOTINAMIDE	A	2A15	0.71
NCA	NICOTINAMIDE	A	2R6V	0.71
NCA	NICOTINAMIDE	A,B	1ISI	0.71
NCA	NICOTINAMIDE	A,D,E	2R9J	0.71
NCA	NICOTINAMIDE	A	2H4J	0.71
NCA	NICOTINAMIDE	A,B	2OD9	0.71
NCA	NICOTINAMIDE	A,B,C,D,E	1YC2	0.71
NCA	NICOTINAMIDE	A,B	3DZG	0.71
NCA	NICOTINAMIDE	A	1OJU	0.71
H52	(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]- HOMOPIPERAZINE	A	1Q8U	0.74
H52	(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]- HOMOPIPERAZINE	A,B	3D9V	0.74
H52	(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]- HOMOPIPERAZINE	A	2GNH	0.74
H52	(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]- HOMOPIPERAZINE	A	2GNL	0.74
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A,B	2ESM	0.78
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A,B	2F2U	0.78
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A	2GNI	0.78
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A	1Q8W	0.78
SPY	4-HYDROSULFONYLPYRIDINE	A,B	1IDB	0.73
SBS	(S)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)- 4-SULFAMOYL-BENZAMIDE	A	1IF8	0.71
HFS	1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINE	E	2ERZ	0.75
HFS	1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINE	A,B	2ETK	0.75
CGS	N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3- PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE	A,B,C,D	2W0D	0.7
CGS	N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3- PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE	A	3AYK	0.7
CGS	N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3- PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE	A,B	1JIZ	0.7
CGS	N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3- PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE	A	4AYK	0.7
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
PIU	1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}- 2,4,6-TRIMETHYLPYRIDINIUM	A	1ZE8	0.76
IQB	N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]- 5-ISOQUINOLINE SULFONAMIDE	E	1YDT	0.73
IQB	N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]- 5-ISOQUINOLINE SULFONAMIDE	A	3FMD	0.73
IQP	1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE	E	1YDR	0.76
CMW	3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin- 4-ylcarbamate	A	2W0B	0.82