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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03885030

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GVD[4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-
3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-
2,5-DIEN-1-YL]ACETONITRILE
A2UV20.72
GVD[4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-
3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-
2,5-DIEN-1-YL]ACETONITRILE
A,B3GGF0.72
GVD[4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-
3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-
2,5-DIEN-1-YL]ACETONITRILE
A,B2VN90.72
740N-[5-(1,1-DIOXIDOISOTHIAZOLIDIN-
2-YL)-1H-INDAZOL-3-YL]-2-(4-PIPERIDIN-
1-YLPHENYL)ACETAMIDE
A2R640.71
LZ11H-indazoleA,B3E6I0.75
LZ11H-indazoleA2VTA0.75
6NI6-NITROINDAZOLEA,B1M8H0.7
6NI6-NITROINDAZOLEA,B1M9M0.7
5CP[4-({4-[(5-cyclopropyl-1H-pyrazol-
3-yl)amino]-6-(methylamino)pyrimidin-
2-yl}amino)phenyl]acetonitrile
A,B3BHH0.78
DRG5,6-DIHYDRO-BENZO[H]CINNOLIN-3-
YLAMINE
A1P4F0.74
LL13-pyridin-4-yl-1H-indazoleA3DNE0.75
1AU1-[1-(3-aminophenyl)-3-tert-butyl-
1H-pyrazol-5-yl]-3-naphthalen-1-
ylurea
A3F3T0.72
IHH[4-({4-[(5-cyclopropyl-1H-pyrazol-
3-yl)amino]quinazolin-2-yl}amino)phenyl]acetonitrile
A,B,C,D3F6X0.73
LIG3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-
.C.]PYRAZOLE
P1JVP0.72
5B15-bromo-1H-indazol-3-amineA3E620.78
L152-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINEA2UW40.77
UN3(2-METHYL-5-PHENYL-2H-PYRAZOL-3-
YL)-SULFAMIC ACID
A2F6W0.84
P19N,N'-DIPHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZINE-
2,4-DIAMINE
A2PVH0.7
QPPN-(5-METHYL-1H-PYRAZOL-3-YL)-2-
PHENYLQUINAZOLIN-4-AMINE
A,C2JC60.76
IDZ3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOLEA2C3L0.7
1AW1-[1-(3-aminophenyl)-3-tert-butyl-
1H-pyrazol-5-yl]-3-phenylurea
A,B3F3U0.74
P442-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-
A][1,3,5]TRIAZINE-8-CARBONITRILE
A2PVJ0.72
5B25-phenyl-1H-indazol-3-amineA3E630.83
BRNBERENILA,B268D0.7
BRNBERENILA,B1D630.7
BRNBERENILA,D,E2GBY0.7
BRNBERENILA2DBE0.7
BRNBERENILA2GVR0.7
N5BN-(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)BENZAMIDEA1VYZ0.75
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE
A3HVC0.74
VC33-(4-nitrophenyl)-1H-pyrazoleA,B,C,D2VCZ0.74
5B34-(3-amino-1H-indazol-5-yl)-N-tert-
butylbenzenesulfonamide
A3E640.75
F291-ALLYL-5-(2-PHENYLPYRAZOLO[1,5-
A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-
C]PYRIDAZIN-3-AMINE
A1WZY0.74
GVG3-METHYL-4-PHENYL-1H-PYRAZOLEA2UW30.76
BMU1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-
3-YL)-3-(4-CHLORO-PHENYL)-UREA
A1KV10.73
ZAT4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE)A2W0J0.71
PY14-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-
YL)QUINOLINE
A1PY50.71
R204-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLEA2ADU0.7
L024-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-
5-YL]PIPERIDINE
B,I1WAY0.75
292N-(3-CYCLOPROPYL-1H-PYRAZOL-5-YL)-
2-(2-NAPHTHYL)ACETAMIDE
A,C,D1VYW0.72
5825-ETHYL-3-METHYL-1,5-DIHYDRO-4H-
PYRAZOLO[4,3-C]QUINOLIN-4-ONE
A2QHN0.71
FRZ5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-
3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-
3-AMINE
A1TVO0.8