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.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
CEL | 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)- 1H-PYRAZOL-1-YL]BENZENESULFONAMIDE | A | 1OQ5 | 0.73 | |
6NI | 6-NITROINDAZOLE | A,B | 1M8H | 0.78 | |
6NI | 6-NITROINDAZOLE | A,B | 1M9M | 0.78 | |
L15 | 2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE | A | 2UW4 | 0.78 | |
CT9 | 4-[5-(TRANS-4-AMINOCYCLOHEXYLAMINO)- 3-ISOPROPYLPYRAZOLO[1,5-A]PYRIMIDIN- 7-YLAMINO]-N,N-DIMETHYLBENZENESULFONAMIDE | A | 1Y91 | 0.71 | |
LL1 | 3-pyridin-4-yl-1H-indazole | A | 3DNE | 0.73 | |
GVG | 3-METHYL-4-PHENYL-1H-PYRAZOLE | A | 2UW3 | 0.78 | |
LZ3 | N-(4-sulfamoylphenyl)-1H-indazole- 3-carboxamide | A | 2VTI | 0.72 | |
GVO | (2S)-2-(4-CHLOROPHENYL)-2-[4-(1H- PYRAZOL-4-YL)PHENYL]ETHANAMINE | A | 2UW6 | 0.72 | |
DMZ | 4-METHYL-N-METHYL-N-(2-PHENYL-2H- PYRAZOL-3-YL)BENZENESULFONAMIDE | A | 1N6B | 0.72 | |
SBC | 1-[4-(AMINOSULFONYL)PHENYL]-1,6- DIHYDROPYRAZOLO[3,4-E]INDAZOLE- 3-CARBOXAMIDE | A,C,D | 2BKZ | 0.77 | |
LZ1 | 1H-indazole | A,B | 3E6I | 0.8 | |
LZ1 | 1H-indazole | A | 2VTA | 0.8 | |
5B3 | 4-(3-amino-1H-indazol-5-yl)-N-tert- butylbenzenesulfonamide | A | 3E64 | 0.86 | |
5NI | 5-NITROINDAZOLE | A,B | 1M8I | 0.76 | |
5NI | 5-NITROINDAZOLE | A,B | 1M9Q | 0.76 | |
7NI | 7-NITROINDAZOLE | A,B | 1M8E | 0.73 | |
7NI | 7-NITROINDAZOLE | A,B | 1FOJ | 0.73 | |
7NI | 7-NITROINDAZOLE | A,B | 1M9K | 0.73 | |
R20 | 4-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLE | A | 2ADU | 0.7 | |
GVN | (2R)-2-(4-CHLOROPHENYL)-2-[4-(1H- PYRAZOL-4-YL)PHENYL]ETHANAMINE | A | 2UW5 | 0.72 | |
VC3 | 3-(4-nitrophenyl)-1H-pyrazole | A,B,C,D | 2VCZ | 0.75 | |
5B2 | 5-phenyl-1H-indazol-3-amine | A | 3E63 | 0.76 |