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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01583906

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LZ5N-phenyl-1H-pyrazole-3-carboxamideA2VTL0.7
5CP[4-({4-[(5-cyclopropyl-1H-pyrazol-
3-yl)amino]-6-(methylamino)pyrimidin-
2-yl}amino)phenyl]acetonitrile
A,B3BHH0.72
FRZ5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-
3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-
3-AMINE
A1TVO0.72
LL13-pyridin-4-yl-1H-indazoleA3DNE0.78
5825-ETHYL-3-METHYL-1,5-DIHYDRO-4H-
PYRAZOLO[4,3-C]QUINOLIN-4-ONE
A2QHN0.73
LIG3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-
.C.]PYRAZOLE
P1JVP0.75
PY14-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-
YL)QUINOLINE
A1PY50.75
L024-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-
5-YL]PIPERIDINE
B,I1WAY0.81
5B25-phenyl-1H-indazol-3-amineA3E630.77
5B15-bromo-1H-indazol-3-amineA3E620.7
1AU1-[1-(3-aminophenyl)-3-tert-butyl-
1H-pyrazol-5-yl]-3-naphthalen-1-
ylurea
A3F3T0.7
LZ11H-indazoleA,B3E6I0.77
LZ11H-indazoleA2VTA0.77
5803-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN-
2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2-
B]PYRAZOLE
A1RW80.72
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.7
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.7
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.7
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.7
UN3(2-METHYL-5-PHENYL-2H-PYRAZOL-3-
YL)-SULFAMIC ACID
A2F6W0.74
A8NN-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-
1,8-DIAMINOOCTANE
A1UT60.72
2MI2-METHYL-1H-INDOLEA2PIO0.71
GVP4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-
4-YL)PHENYL]PIPERIDINE
A2UW90.71
GVP4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-
4-YL)PHENYL]PIPERIDINE
A2UW70.71
5NI5-NITROINDAZOLEA,B1M8I0.71
5NI5-NITROINDAZOLEA,B1M9Q0.71
6NI6-NITROINDAZOLEA,B1M8H0.71
6NI6-NITROINDAZOLEA,B1M9M0.71
GVG3-METHYL-4-PHENYL-1H-PYRAZOLEA2UW30.82
R204-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLEA2ADU0.73
L152-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINEA2UW40.82
SM5(1E)-5-(1-piperidin-4-yl-3-pyridin-
4-yl-1H-pyrazol-4-yl)-2,3-dihydro-
1H-inden-1-one oxime
A,B3D4Q0.7
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE
A3HVC0.78
IDMINDOLINEA,B3CEP0.7
IDMINDOLINEA1AEK0.7
NOWNalpha-[(3-tert-butyl-1-methyl-
1H-pyrazol-5-yl)carbonyl]-N-[(2Z)-
2-iminoethyl]-3-methyl-L-phenylalaninamide
A,B,C,D3HHA0.71
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.7
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.7
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.7
4223-(5-{[4-(AMINOMETHYL)PIPERIDIN-
1-YL]METHYL}-1H-INDOL-2-YL)-1H-
INDAZOLE-6-CARBONITRILE
A2HXL0.71
VC33-(4-nitrophenyl)-1H-pyrazoleA,B,C,D2VCZ0.75