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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02115100

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
5NI5-NITROINDAZOLEA,B1M8I0.7
5NI5-NITROINDAZOLEA,B1M9Q0.7
6NI6-NITROINDAZOLEA,B1M8H0.7
6NI6-NITROINDAZOLEA,B1M9M0.7
VC33-(4-nitrophenyl)-1H-pyrazoleA,B,C,D2VCZ0.71
5372,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-
6-ONE
A1UKI0.72
5372,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-
6-ONE
A1PMV0.72
5372,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-
6-ONE
A2ZMD0.72
GVN(2R)-2-(4-CHLOROPHENYL)-2-[4-(1H-
PYRAZOL-4-YL)PHENYL]ETHANAMINE
A2UW50.81
LZ11H-indazoleA,B3E6I0.77
LZ11H-indazoleA2VTA0.77
GVG3-METHYL-4-PHENYL-1H-PYRAZOLEA2UW30.8
GVP4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-
4-YL)PHENYL]PIPERIDINE
A2UW90.76
GVP4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-
4-YL)PHENYL]PIPERIDINE
A2UW70.76
LL13-pyridin-4-yl-1H-indazoleA3DNE0.71
L024-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-
5-YL]PIPERIDINE
B,I1WAY0.86
PP21-TERT-BUTYL-3-(4-CHLORO-PHENYL)-
1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
A,B3GEQ0.71
PP21-TERT-BUTYL-3-(4-CHLORO-PHENYL)-
1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
A2ZV90.71
PP21-TERT-BUTYL-3-(4-CHLORO-PHENYL)-
1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
A1QPE0.71
GVO(2S)-2-(4-CHLOROPHENYL)-2-[4-(1H-
PYRAZOL-4-YL)PHENYL]ETHANAMINE
A2UW60.81
5B15-bromo-1H-indazol-3-amineA3E620.71
5B25-phenyl-1H-indazol-3-amineA3E630.79
L152-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINEA2UW40.79
R204-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLEA2ADU0.7