Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00275619
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 |
CF3![]() | 9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE | A,B,C,D | 2GH6 | 0.74 | ![]() |
AHC![]() | 4-AMINOHYDROCINNAMIC ACID | A,B | 2AY1 | 0.72 | ![]() |
198![]() | R-BICALUTAMIDE | A | 1Z95 | 0.71 | ![]() |
12Q![]() | 1-METHYLQUINOLIN-2(1H)-ONE | A,B | 2F64 | 0.7 | ![]() |
G1L![]() | 3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A,B | 2I80 | 0.77 | ![]() |
GEP![]() | N-METHYL-N-(PARA-GLUTARAMIDOPHENYL- ETHYL)-PIPERIDINIUM ION | L | 25C8 | 0.77 | ![]() |
G30![]() | (1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acid | A | 3G30 | 0.7 | ![]() |
GNR![]() | 2-(3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]THIAZIN- 2-YL)-N-HYDROXYACETAMIDE | A,B | 1S17 | 0.74 | ![]() |
A26![]() | 2-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL- PHENYL)-BUTYRAMIDE | A | 1TV5 | 0.74 | ![]() |
A26![]() | 2-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL- PHENYL)-BUTYRAMIDE | A | 1D3H | 0.74 | ![]() |
221![]() | (2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}- 2-CYANO-3-THIOXOPROPANAMIDE | A,B | 2IJN | 0.73 | ![]() |
347![]() | TERT-BUTYL 4-({[4-(BUT-2-YN-1-YLAMINO)PHENYL]SULFONYL}METHYL)- 4-[(HYDROXYAMINO)CARBONYL]PIPERIDINE- 1-CARBOXYLATE | A,B,C,D | 2PJT | 0.72 | ![]() |
GTB![]() | S-(P-NITROBENZYL)GLUTATHIONE | A,B | 2OAD | 0.71 | ![]() |
GTB![]() | S-(P-NITROBENZYL)GLUTATHIONE | A,B,C,D,E,F | 1GTI | 0.71 | ![]() |
GTB![]() | S-(P-NITROBENZYL)GLUTATHIONE | A,B | 2OAC | 0.71 | ![]() |
GTB![]() | S-(P-NITROBENZYL)GLUTATHIONE | A,B | 1GLQ | 0.71 | ![]() |
GTB![]() | S-(P-NITROBENZYL)GLUTATHIONE | B,D | 2QMC | 0.71 | ![]() |
GTB![]() | S-(P-NITROBENZYL)GLUTATHIONE | A,B | 2VO4 | 0.71 | ![]() |
GTB![]() | S-(P-NITROBENZYL)GLUTATHIONE | A,B,C,D | 1K0C | 0.71 | ![]() |
AFF![]() | 2-ACETYLAMINOFLUORENE-3-YL | A | 2GE2 | 0.76 | ![]() |
BOS![]() | N-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDE | A | 2HD6 | 0.71 | ![]() |
FOE![]() | 2-(2-AMINO-3-OXO-PROPYLSULFANYL)- N-(4-FLUORO-PHENYL)-N-ISOPROPYL- ACETAMIDE | B | 1BX9 | 0.79 | ![]() |
H18![]() | 6-CHLORO-4-(CYCLOHEXYLSULFINYL)- 3-PROPYLQUINOLIN-2(1H)-ONE | A | 1TL1 | 0.76 | ![]() |
CBE![]() | 2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4- OXATHIINE-3-CARBOXAMIDE | A,B,C,D,N,O, P,Q | 2FBW | 0.78 | ![]() |
DOE![]() | (S)-2-(4-(2-(2-HYDROXYETHYLTHIO)- ACETAMIDO)-BENZYL)-1,4,7,10-TETRAAZACYCLODODECANE- N,N',N'',N'''-TETRAACETATE | A,B,C,D | 1NC2 | 0.79 | ![]() |
H16![]() | 6-CHLORO-4-(CYCLOHEXYLSULFANYL)- 3-PROPYLQUINOLIN-2(1H)-ONE | A | 1TKZ | 0.77 | ![]() |