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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00001993

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
UN3(2-METHYL-5-PHENYL-2H-PYRAZOL-3-
YL)-SULFAMIC ACID
A2F6W0.78
5NI5-NITROINDAZOLEA,B1M8I0.7
5NI5-NITROINDAZOLEA,B1M9Q0.7
6NI6-NITROINDAZOLEA,B1M8H0.7
6NI6-NITROINDAZOLEA,B1M9M0.7
L024-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-
5-YL]PIPERIDINE
B,I1WAY0.76
5CP[4-({4-[(5-cyclopropyl-1H-pyrazol-
3-yl)amino]-6-(methylamino)pyrimidin-
2-yl}amino)phenyl]acetonitrile
A,B3BHH0.7
LZ11H-indazoleA,B3E6I0.77
LZ11H-indazoleA2VTA0.77
5B34-(3-amino-1H-indazol-5-yl)-N-tert-
butylbenzenesulfonamide
A3E640.78
N5BN-(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)BENZAMIDEA1VYZ0.74
QPPN-(5-METHYL-1H-PYRAZOL-3-YL)-2-
PHENYLQUINAZOLIN-4-AMINE
A,C2JC60.71
BRNBERENILA,B268D0.72
BRNBERENILA,B1D630.72
BRNBERENILA,D,E2GBY0.72
BRNBERENILA2DBE0.72
BRNBERENILA2GVR0.72
292N-(3-CYCLOPROPYL-1H-PYRAZOL-5-YL)-
2-(2-NAPHTHYL)ACETAMIDE
A,C,D1VYW0.73
R204-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLEA2ADU0.74
L152-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINEA2UW40.83
FRZ5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-
3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-
3-AMINE
A1TVO0.76
5B15-bromo-1H-indazol-3-amineA3E620.81
GVG3-METHYL-4-PHENYL-1H-PYRAZOLEA2UW30.81
DRG5,6-DIHYDRO-BENZO[H]CINNOLIN-3-
YLAMINE
A1P4F0.8
5B25-phenyl-1H-indazol-3-amineA3E630.87
VC33-(4-nitrophenyl)-1H-pyrazoleA,B,C,D2VCZ0.75