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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01016496

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
VC33-(4-nitrophenyl)-1H-pyrazoleA,B,C,D2VCZ0.8
L152-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINEA2UW40.8
GVG3-METHYL-4-PHENYL-1H-PYRAZOLEA2UW30.79
LZ5N-phenyl-1H-pyrazole-3-carboxamideA2VTL0.77
LZ11H-indazoleA,B3E6I0.77
LZ11H-indazoleA2VTA0.77
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE
A3HVC0.75
6NI6-NITROINDAZOLEA,B1M8H0.74
6NI6-NITROINDAZOLEA,B1M9M0.74
LL13-pyridin-4-yl-1H-indazoleA3DNE0.74
LZ9{[(2,6-difluorophenyl)carbonyl]amino}-
N-(4-fluorophenyl)-1H-pyrazole-
3-carboxamide
A2VTP0.74
LZ74-(acetylamino)-N-(4-fluorophenyl)-
1H-pyrazole-3-carboxamide
A2VTN0.74
LZA{[(2,6-difluorophenyl)carbonyl]amino}-
N-piperidin-4-yl-1H-pyrazole-3-
carboxamide
A2VTQ0.73
5NI5-NITROINDAZOLEA,B1M8I0.73
5NI5-NITROINDAZOLEA,B1M9Q0.73
LZD4-{[(2,6-difluorophenyl)carbonyl]amino}-
N-[(3S)-piperidin-3-yl]-1H-pyrazole-
3-carboxamide
A2VTT0.73
R204-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLEA2ADU0.73
LIG3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-
.C.]PYRAZOLE
P1JVP0.72
L024-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-
5-YL]PIPERIDINE
B,I1WAY0.72
LZ8(4E)-N-(4-fluorophenyl)-4-[(phenylcarbonyl)imino]-
4H-pyrazole-3-carboxamide
A2VTO0.72
3DE3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-
4-CARBOXYLIC ACID ETHYL ESTER
A,B1Y2C0.71
PY14-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-
YL)QUINOLINE
A1PY50.71
NOWNalpha-[(3-tert-butyl-1-methyl-
1H-pyrazol-5-yl)carbonyl]-N-[(2Z)-
2-iminoethyl]-3-methyl-L-phenylalaninamide
A,B,C,D3HHA0.7
5825-ETHYL-3-METHYL-1,5-DIHYDRO-4H-
PYRAZOLO[4,3-C]QUINOLIN-4-ONE
A2QHN0.7