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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00614606

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
5825-ETHYL-3-METHYL-1,5-DIHYDRO-4H-
PYRAZOLO[4,3-C]QUINOLIN-4-ONE
A2QHN0.74
2FR3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-
1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide
A3DBC0.71
LZ11H-indazoleA,B3E6I0.75
LZ11H-indazoleA2VTA0.75
LZA{[(2,6-difluorophenyl)carbonyl]amino}-
N-piperidin-4-yl-1H-pyrazole-3-
carboxamide
A2VTQ0.74
5NI5-NITROINDAZOLEA,B1M8I0.72
5NI5-NITROINDAZOLEA,B1M9Q0.72
VC33-(4-nitrophenyl)-1H-pyrazoleA,B,C,D2VCZ0.71
3063-[5-(PIPERIDIN-1-YLMETHYL)-1H-
INDOL-2-YL]-6-(1H-PYRAZOL-4-YL)QUINOLIN-
2(1H)-ONE
A2HY00.75
LZ5N-phenyl-1H-pyrazole-3-carboxamideA2VTL0.73
19AN,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-
3-YL)-1H-PYRROLE-2-CARBOXAMIDE
A2OJG0.71
LZ3N-(4-sulfamoylphenyl)-1H-indazole-
3-carboxamide
A2VTI0.7
6NI6-NITROINDAZOLEA,B1M8H0.74
6NI6-NITROINDAZOLEA,B1M9M0.74
NOWNalpha-[(3-tert-butyl-1-methyl-
1H-pyrazol-5-yl)carbonyl]-N-[(2Z)-
2-iminoethyl]-3-methyl-L-phenylalaninamide
A,B,C,D3HHA0.72
LZD4-{[(2,6-difluorophenyl)carbonyl]amino}-
N-[(3S)-piperidin-3-yl]-1H-pyrazole-
3-carboxamide
A2VTT0.74
L152-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINEA2UW40.72
5372,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-
6-ONE
A1UKI0.74
5372,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-
6-ONE
A1PMV0.74
5372,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-
6-ONE
A2ZMD0.74
LL13-pyridin-4-yl-1H-indazoleA3DNE0.76
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE
A3HVC0.7
LZ8(4E)-N-(4-fluorophenyl)-4-[(phenylcarbonyl)imino]-
4H-pyrazole-3-carboxamide
A2VTO0.74
LZE4-{[(2,6-dichlorophenyl)carbonyl]amino}-
N-piperidin-4-yl-1H-pyrazole-3-
carboxamide
A2VU30.71
D312-(4-(AMINOMETHYL)PIPERIDIN-1-YL)-
N-(3_CYCLOHEXYL-4-OXO-2,4-DIHYDROINDENO[1,2-
C]PYRAZOL-5-YL)ACETAMIDE
A2B550.73
LZ9{[(2,6-difluorophenyl)carbonyl]amino}-
N-(4-fluorophenyl)-1H-pyrazole-
3-carboxamide
A2VTP0.75
GVG3-METHYL-4-PHENYL-1H-PYRAZOLEA2UW30.71
PY14-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-
YL)QUINOLINE
A1PY50.71
SBC1-[4-(AMINOSULFONYL)PHENYL]-1,6-
DIHYDROPYRAZOLO[3,4-E]INDAZOLE-
3-CARBOXAMIDE
A,C,D2BKZ0.73
P0419-(cyclopropylamino)-4,6,7,15-
tetrahydro-5H-16,1-(azenometheno)-
10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-
8(9H)-one
A3BE90.71