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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01550381

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
OA45-methyl-6-phenylquinazoline-2,4-
diamine
A2W6P0.74
SX86-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-
b]pyridazin-3-yl]sulfanyl}quinoline
A3DKG0.73
SX86-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-
b]pyridazin-3-yl]sulfanyl}quinoline
A3DKF0.73
JN5(2S)-1,3-benzothiazol-2-yl{2-[(2-
pyridin-3-ylethyl)amino]pyrimidin-
4-yl}ethanenitrile
A3CY30.75
6544-(2-THIENYL)-1-(4-METHYLBENZYL)-
1H-IMIDAZOLE
A,B1I2Z0.74
TAQ2,4,6-TRIAMINOQUINAZOLINEA,B,C,D,E,F,
G,H
1W0C0.76
CK24-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-
2-AMINE
A,C2C5O0.71
CK24-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-
2-AMINE
A1PXJ0.71
D236-(3-AMINOPHENYL)-N-(TERT-BUTYL)-
2-(TRIFLUOROMETHYL)QUINAZOLIN-4-
AMINE
A2B530.72
AK11-{5-[2-(thieno[3,2-d]pyrimidin-
4-ylamino)ethyl]-1,3-thiazol-2-
yl}-3-[3-(trifluoromethyl)phenyl]urea
A3D140.75
DX26-phenylpteridine-2,4,7-triamineA,B,C,D3BME0.71
CK8N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-
PYRIMIDIN-2-YL]-N',N'-DIMETHYL-
BENZENE-1,4-DIAMINE
A,C2C5N0.72
CK8N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-
PYRIMIDIN-2-YL]-N',N'-DIMETHYL-
BENZENE-1,4-DIAMINE
A1PXP0.72
QPPN-(5-METHYL-1H-PYRAZOL-3-YL)-2-
PHENYLQUINAZOLIN-4-AMINE
A,C2JC60.71
CK14-(2,5-DICHLOROTHIEN-3-YL)PYRIMIDIN-
2-AMINE
A1PXI0.72
TQ45-[(4-METHYLPHENYL)SULFANYL]-2,4-
QUINAZOLINEDIAMINE
A,B1IA20.84
TQ55-[4-TERT-BUTYLPHENYLSULFANYL]-
2,4-QUINAZOLINEDIAMINE
A,B1IA30.8
2AQQUINOLIN-2-AMINEA2OHL0.71
D1B2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-
2-THIENYL)-1H-BENZIMIDAZOLE-6- CARBOXIMIDAMIDE DIHYDROCHLORIDE
A1VZK0.72
AX46-[(4-methylphenyl)sulfanyl]pyrimidine-
2,4-diamine
A,B,C,D3BMO0.75
CP76-ETHYL-5-PHENYLPYRIMIDINE-2,4-
DIAMINE
A2BLC0.7
CP76-ETHYL-5-PHENYLPYRIMIDINE-2,4-
DIAMINE
A2BLB0.7
TQ65-(4-MORPHOLIN-4-YL-PHENYLSULFANYL)-
2,4-QUINAZOLINEDIAMINE
A,B1IA40.75
TQ35-PHENYLSULFANYL-2,4-QUINAZOLINEDIAMINEA,B1IA10.83
CK44-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-
N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-
2-AMINE
A1PXL0.75
CK44-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-
N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-
2-AMINE
A,C,F,H2C5V0.75
AX56-(benzylsulfanyl)pyrimidine-2,4-
diamine
A,B,C,D3BMQ0.76