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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01420513

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CEL4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-
1H-PYRAZOL-1-YL]BENZENESULFONAMIDE
A1OQ50.73
6NI6-NITROINDAZOLEA,B1M8H0.78
6NI6-NITROINDAZOLEA,B1M9M0.78
L152-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINEA2UW40.78
CT94-[5-(TRANS-4-AMINOCYCLOHEXYLAMINO)-
3-ISOPROPYLPYRAZOLO[1,5-A]PYRIMIDIN-
7-YLAMINO]-N,N-DIMETHYLBENZENESULFONAMIDE
A1Y910.71
LL13-pyridin-4-yl-1H-indazoleA3DNE0.73
GVG3-METHYL-4-PHENYL-1H-PYRAZOLEA2UW30.78
LZ3N-(4-sulfamoylphenyl)-1H-indazole-
3-carboxamide
A2VTI0.72
GVO(2S)-2-(4-CHLOROPHENYL)-2-[4-(1H-
PYRAZOL-4-YL)PHENYL]ETHANAMINE
A2UW60.72
DMZ4-METHYL-N-METHYL-N-(2-PHENYL-2H-
PYRAZOL-3-YL)BENZENESULFONAMIDE
A1N6B0.72
SBC1-[4-(AMINOSULFONYL)PHENYL]-1,6-
DIHYDROPYRAZOLO[3,4-E]INDAZOLE-
3-CARBOXAMIDE
A,C,D2BKZ0.77
LZ11H-indazoleA,B3E6I0.8
LZ11H-indazoleA2VTA0.8
5B34-(3-amino-1H-indazol-5-yl)-N-tert-
butylbenzenesulfonamide
A3E640.86
5NI5-NITROINDAZOLEA,B1M8I0.76
5NI5-NITROINDAZOLEA,B1M9Q0.76
7NI7-NITROINDAZOLEA,B1M8E0.73
7NI7-NITROINDAZOLEA,B1FOJ0.73
7NI7-NITROINDAZOLEA,B1M9K0.73
R204-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLEA2ADU0.7
GVN(2R)-2-(4-CHLOROPHENYL)-2-[4-(1H-
PYRAZOL-4-YL)PHENYL]ETHANAMINE
A2UW50.72
VC33-(4-nitrophenyl)-1H-pyrazoleA,B,C,D2VCZ0.75
5B25-phenyl-1H-indazol-3-amineA3E630.76