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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01342501

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LZ9{[(2,6-difluorophenyl)carbonyl]amino}-
N-(4-fluorophenyl)-1H-pyrazole-
3-carboxamide
A2VTP0.76
GVP4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-
4-YL)PHENYL]PIPERIDINE
A2UW90.78
GVP4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-
4-YL)PHENYL]PIPERIDINE
A2UW70.78
6NI6-NITROINDAZOLEA,B1M8H0.72
6NI6-NITROINDAZOLEA,B1M9M0.72
LZA{[(2,6-difluorophenyl)carbonyl]amino}-
N-piperidin-4-yl-1H-pyrazole-3-
carboxamide
A2VTQ0.74
5NI5-NITROINDAZOLEA,B1M8I0.72
5NI5-NITROINDAZOLEA,B1M9Q0.72
5803-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN-
2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2-
B]PYRAZOLE
A1RW80.74
5B25-phenyl-1H-indazol-3-amineA3E630.73
VC33-(4-nitrophenyl)-1H-pyrazoleA,B,C,D2VCZ0.76
MQ0(3-AMINOMETHYL-CINNOLIN-4-YL)-(3,3-
DIPHENYL-ALLYLIDENE)-AMINE
A,B,C3STD0.71
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE
A,B2PJL0.72
LZ5N-phenyl-1H-pyrazole-3-carboxamideA2VTL0.72
CEL4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-
1H-PYRAZOL-1-YL]BENZENESULFONAMIDE
A1OQ50.7
GVN(2R)-2-(4-CHLOROPHENYL)-2-[4-(1H-
PYRAZOL-4-YL)PHENYL]ETHANAMINE
A2UW50.76
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.72
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.72
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.72
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.72
LZ11H-indazoleA,B3E6I0.78
LZ11H-indazoleA2VTA0.78
19AN,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-
3-YL)-1H-PYRROLE-2-CARBOXAMIDE
A2OJG0.71
HYZN-[1-(3-fluorobenzyl)-1H-indazol-
5-yl]-5-[(piperidin-1-ylamino)methyl]pyrimidine-
4,6-diamine
A2RGP0.72
PY14-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-
YL)QUINOLINE
A1PY50.78
4223-(5-{[4-(AMINOMETHYL)PIPERIDIN-
1-YL]METHYL}-1H-INDOL-2-YL)-1H-
INDAZOLE-6-CARBONITRILE
A2HXL0.7
LZD4-{[(2,6-difluorophenyl)carbonyl]amino}-
N-[(3S)-piperidin-3-yl]-1H-pyrazole-
3-carboxamide
A2VTT0.74
7NI7-NITROINDAZOLEA,B1M8E0.7
7NI7-NITROINDAZOLEA,B1FOJ0.7
7NI7-NITROINDAZOLEA,B1M9K0.7
P442-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-
A][1,3,5]TRIAZINE-8-CARBONITRILE
A2PVJ0.72
GVG3-METHYL-4-PHENYL-1H-PYRAZOLEA2UW30.82
L152-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINEA2UW40.83
R204-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLEA2ADU0.75
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.72
LZ74-(acetylamino)-N-(4-fluorophenyl)-
1H-pyrazole-3-carboxamide
A2VTN0.72
LL13-pyridin-4-yl-1H-indazoleA3DNE0.79
A8NN-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-
1,8-DIAMINOOCTANE
A1UT60.7
LZ8(4E)-N-(4-fluorophenyl)-4-[(phenylcarbonyl)imino]-
4H-pyrazole-3-carboxamide
A2VTO0.74
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE
A3HVC0.84
D26PHENYL-5-(1H-PYRAZOL-3-YL)-1,3-
THIAZOLE
A,B,C,D2VCX0.71
GVO(2S)-2-(4-CHLOROPHENYL)-2-[4-(1H-
PYRAZOL-4-YL)PHENYL]ETHANAMINE
A2UW60.76
LIG3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-
.C.]PYRAZOLE
P1JVP0.76
L024-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-
5-YL]PIPERIDINE
B,I1WAY0.75
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
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.72
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.72
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.72