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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01262406

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
POS1-[[(4-PHENOXYPHENYL)SULFONYL]AMINO]-
3-[[N/N-(4-PYRIDINYLCARBONYL)-L-
LEUCYL]AMINO]-2-PROPANOL
A1AU20.75
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE
A,B2G970.71
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE
A,B2GVJ0.71
8STN-(4-chlorophenyl)-2-[(pyridin-
4-ylmethyl)amino]benzamide
A3HNG0.71
CQP(4R,2S)-5'-(4-(4-CHLOROBENZYLOXY)PYRROLIDIN-
2-YLMETHANESULFONYL)ISOQUINOLINE
A2C1B0.77
I5SISOQUINOLINE-5-SULFONIC ACID (2-
(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE
A2JDO0.81
I5SISOQUINOLINE-5-SULFONIC ACID (2-
(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE
A2JDT0.81
I5SISOQUINOLINE-5-SULFONIC ACID (2-
(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE
A2C1A0.81
TPVN-(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,B2O4P0.71
TPVN-(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
A1D4S0.71
TPVN-(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,B2O4L0.71
TPVN-(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
A1D4Y0.71
TPVN-(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,B2O4N0.71
XMD(2R)-4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-
6-OXO-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]-
2-PIPERAZINECARBOXYLIC ACID ETHYL ESTER
A1IQF0.71
368(1R)-2-{[AMINO(IMINO)METHYL]AMINO}-
1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE
A1ZLR0.71
P10[1-(3-HYDROXY-2-OXO-1-PHENETHYL-
PROPYLCARBAMOYL)2-PHENYL-ETHYL]-
CARBAMIC ACID PYRIDIN-4-YLMETHYL ESTER
A1ME30.7
2SMmethyl 2-{[(4-methylpyrimidin-2-
yl)carbamoyl]sulfamoyl}benzoate
A3EA40.73
L11N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL)-
PHENYL]-3-FLUORO-
A1W830.75
I101-[2-(3-BIPHENYL)-4-METHYLVALERYL)]AMINO-
3-(2-PYRIDYLSULFONYL)AMINO-2-PROPANONE
A1BGO0.72
WAYN-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)-
PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL-
BENZAMIDE
A1FLS0.72
WAYN-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)-
PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL-
BENZAMIDE
A1FM10.72
FXAN-(2-(((5-CHLORO-2-PYRIDINYL)AMINO)SULFONYL)PHENYL)-
4-(2-OXO-1(2H)-PYRIDINYL)BENZAMIDE
A3CEN0.73
I1H3-[2-(2,4-DICHLOROPHENYL)ETHOXY]-
4-METHOXY-N-[(1-PYRIDIN-4-YLPIPERIDIN-
4-YL)METHYL]BENZAMIDE
B2BMG0.71
896N-ETHYL-N-ISOPROPYL-3-METHYL-5-
{[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE
B,H2UUJ0.71