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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00568760

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
5CP[4-({4-[(5-cyclopropyl-1H-pyrazol-
3-yl)amino]-6-(methylamino)pyrimidin-
2-yl}amino)phenyl]acetonitrile
A,B3BHH0.72
LZ11H-indazoleA,B3E6I0.75
LZ11H-indazoleA2VTA0.75
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE
A3HVC0.79
4223-(5-{[4-(AMINOMETHYL)PIPERIDIN-
1-YL]METHYL}-1H-INDOL-2-YL)-1H-
INDAZOLE-6-CARBONITRILE
A2HXL0.73
LL13-pyridin-4-yl-1H-indazoleA3DNE0.77
GVO(2S)-2-(4-CHLOROPHENYL)-2-[4-(1H-
PYRAZOL-4-YL)PHENYL]ETHANAMINE
A2UW60.74
5803-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN-
2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2-
B]PYRAZOLE
A1RW80.74
PY14-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-
YL)QUINOLINE
A1PY50.75
5B25-phenyl-1H-indazol-3-amineA3E630.75
L024-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-
5-YL]PIPERIDINE
B,I1WAY0.88
L152-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINEA2UW40.84
5825-ETHYL-3-METHYL-1,5-DIHYDRO-4H-
PYRAZOLO[4,3-C]QUINOLIN-4-ONE
A2QHN0.72
FRZ5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-
3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-
3-AMINE
A1TVO0.74
A8NN-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-
1,8-DIAMINOOCTANE
A1UT60.72
D312-(4-(AMINOMETHYL)PIPERIDIN-1-YL)-
N-(3_CYCLOHEXYL-4-OXO-2,4-DIHYDROINDENO[1,2-
C]PYRAZOL-5-YL)ACETAMIDE
A2B550.7
R204-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLEA2ADU0.74
GVG3-METHYL-4-PHENYL-1H-PYRAZOLEA2UW30.82
GVN(2R)-2-(4-CHLOROPHENYL)-2-[4-(1H-
PYRAZOL-4-YL)PHENYL]ETHANAMINE
A2UW50.74
DRG5,6-DIHYDRO-BENZO[H]CINNOLIN-3-
YLAMINE
A1P4F0.71
GVP4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-
4-YL)PHENYL]PIPERIDINE
A2UW90.79
GVP4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-
4-YL)PHENYL]PIPERIDINE
A2UW70.79
FRB2-CYCLOHEXYL-N-(2-{4-[5-(2,3-DICHLORO-
PHENYL)-2H-PYRAZOL-3-YL]-PIPERIDIN-
1-YL}-2-OXO-ETHYL)-2-GUANIDINO-
ACETAMIDE
A,B1PW60.7
MQ0(3-AMINOMETHYL-CINNOLIN-4-YL)-(3,3-
DIPHENYL-ALLYLIDENE)-AMINE
A,B,C3STD0.73
LIG3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-
.C.]PYRAZOLE
P1JVP0.76
SM5(1E)-5-(1-piperidin-4-yl-3-pyridin-
4-yl-1H-pyrazol-4-yl)-2,3-dihydro-
1H-inden-1-one oxime
A,B3D4Q0.73
VC33-(4-nitrophenyl)-1H-pyrazoleA,B,C,D2VCZ0.75