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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00369234

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
7DE3,5-DIMETHYL-1-(3-NITROPHENYL)-
1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
A,B1Y2J0.76
7DE3,5-DIMETHYL-1-(3-NITROPHENYL)-
1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
A,B1Y2K0.76
6NI6-NITROINDAZOLEA,B1M8H0.72
6NI6-NITROINDAZOLEA,B1M9M0.72
7I27-NITROINDAZOLE-2-CARBOXAMIDINEA,B1FOJ0.73
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione
A3FPM0.7
H7JN-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-
3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-
1,2-DIMETHYLPROPYL]BENZAMIDE
A,B,C2HXZ0.72
H7JN-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-
3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-
1,2-DIMETHYLPROPYL]BENZAMIDE
A,B2H7J0.72
NOWNalpha-[(3-tert-butyl-1-methyl-
1H-pyrazol-5-yl)carbonyl]-N-[(2Z)-
2-iminoethyl]-3-methyl-L-phenylalaninamide
A,B,C,D3HHA0.72
LZ5N-phenyl-1H-pyrazole-3-carboxamideA2VTL0.71
LZ9{[(2,6-difluorophenyl)carbonyl]amino}-
N-(4-fluorophenyl)-1H-pyrazole-
3-carboxamide
A2VTP0.7
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.72
5NI5-NITROINDAZOLEA,B1M8I0.71
5NI5-NITROINDAZOLEA,B1M9Q0.71
ZZA1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACIDA,B,D2VCW0.76
AGE(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-
1H-pyrrol-2-yl]prop-2-enamide
A,B,C3F070.74
VC33-(4-nitrophenyl)-1H-pyrazoleA,B,C,D2VCZ0.75