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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00856838

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
JN5(2S)-1,3-benzothiazol-2-yl{2-[(2-
pyridin-3-ylethyl)amino]pyrimidin-
4-yl}ethanenitrile
A3CY30.75
AK11-{5-[2-(thieno[3,2-d]pyrimidin-
4-ylamino)ethyl]-1,3-thiazol-2-
yl}-3-[3-(trifluoromethyl)phenyl]urea
A3D140.73
BTS3-(2-BENZOTHIAZOLYLTHIO)-1-PROPANESULFONIC ACIDA,B1SUX0.72
MZ5(2S)-N-[(1S,2R)-3-{(1,3-BENZOTHIAZOL-
6-YLSULFONYL)[(2S)-2-METHYLBUTYL]AMINO}-
1-BENZYL-2-HYDROXYPROPYL]-2-HYDROXY-
3-METHYLBUTANAMIDE
A,B2QI30.7
CK8N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-
PYRIMIDIN-2-YL]-N',N'-DIMETHYL-
BENZENE-1,4-DIAMINE
A,C2C5N0.7
CK8N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-
PYRIMIDIN-2-YL]-N',N'-DIMETHYL-
BENZENE-1,4-DIAMINE
A1PXP0.7
NSCN,N'-BIS(4-AMINO-2-METHYLQUINOLIN-
6-YL)UREA
A,B1PWP0.7
F32(5S)-5-{4-[(2S)-2-(1H-BENZIMIDAZOL-
2-YL)-2-(1,3-BENZOTHIAZOL-2-YLAMINO)ETHYL]PHENYL}ISOTHIAZOLIDIN-
3-ONE 1,1-DIOXIDE
A2CNF0.71
DBN6-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)-
2-{5-[4-(4,5-DIHYDRO-1H-IMIDAZOL-
2-YL)PHENYL]THIEN-2-YL}-1H-BENZIMIDAZOLE
A2B3E0.71
CP93-[4-(2-METHYL-IMIDAZO[4,5-C]PYRIDIN-
1-YL)BENZYL]-3H-BENZOTHIAZOL-2-
ONE
A1TV60.71
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEB1C5Y0.7
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5U0.7
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5T0.7
THZBENZOTHIAZOLEH,I,R1TBZ0.73
THZBENZOTHIAZOLEH,I,R1B5G0.73
P90{4-[(2S,4E)-2-(1,3-BENZOTHIAZOL-
2-YL)-2-(1H-1,2,3-BENZOTRIAZOL-
1-YL)-5-PHENYLPENT-4-ENYL]PHENYL}(DIFLUORO)METHYLPHOSPHONIC ACID
A,B1Q6N0.74
165N-(BENZYLSULFONYL)-3-CYCLOHEXYLALANYL-
N-(2-AMINO-1,3-BENZOTHIAZOL-6-YL)PROLINAMIDE
H,I1SB10.74
RWJCYCLOPENTANECARBOXYLIC ACID [1-
(BENZOTHIAZOLE-2-CARBONYL)-4-GUANIDINO-
BUTYL]-AMIDE
A1QCP0.76
23M2-(3-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE
A2G5N0.7
D1B2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-
2-THIENYL)-1H-BENZIMIDAZOLE-6- CARBOXIMIDAMIDE DIHYDROCHLORIDE
A1VZK0.75
CK44-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-
N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-
2-AMINE
A1PXL0.73
CK44-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-
N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-
2-AMINE
A,C,F,H2C5V0.73
FR0N''-(4-(5-((1H-BENZIMIDAZOL-2-YLAMINO)METHYL)-
2-THIENYL)-1,3-THIAZOL-2-YL)GUANIDINE
A1NDV0.7
TFL2-[4-(DIMETHYLAMINO)PHENYL]-6-HYDROXY-
3-METHYL-1,3-BENZOTHIAZOL-3-IUM
A2J3Q0.74