Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00898526
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 |
ME1![]() | 5-CHLORO-N-(2-(4-(2-OXOPYRIDIN- 1(2H)-YL)BENZAMIDO)ETHYL)THIOPHENE- 2-CARBOXAMIDE | A | 2P93 | 0.72 | ![]() |
U89![]() | N-[4-[[3-(2,4-DIAMINO-1,6-DIHYDRO- 6-OXO-4-PYRIMIDINYL)-PROPYL]-[2- ((2-OXO-2-((4-PHOSPHORIBOXY)-BUTYL)- AMINO)-ETHYL)-THIO-ACETYL]-AMINO]BENZOYL]- 1-GLUTAMIC ACID | A,B | 1GAR | 0.7 | ![]() |
KMB![]() | 2-AMINO-6-AMINOMETHYL-8-PHENYLSULFANYLMETHYL- 3H-QUINAZOLIN-4-ONE | A | 1Q66 | 0.71 | ![]() |
FRY![]() | (2S)-N-[(3S)-1-(2-AMINO-2-OXOETHYL)- 2-OXO-1,2,3,4-TETRAHYDROQUINOLIN- 3-YL]-2-CHLORO-2H-THIENO[2,3-B]PYRROLE- 5-CARBOXAMIDE | A,B | 2IEG | 0.75 | ![]() |
BHB![]() | 2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLSULFANYLMETHYL)- 3H-QUINAZOLIN-4-ONE | A | 1Q65 | 0.7 | ![]() |
H1N![]() | N-[2-OXO-3-((E)-PHENYL{[4-(PIPERIDIN- 1-YLMETHYL)PHENYL]IMINO}METHYL)- 2,6-DIHYDRO-1H-INDOL-5-YL]ETHANESULFONAMIDE | A,B | 2BFY | 0.7 | ![]() |
ME5![]() | 5-CHLORO-N-((1R,2S)-2-(4-(2-OXOPYRIDIN- 1(2H)-YL)BENZAMIDO) CYCLOPENTYL)THIOPHENE- 2-CARBOXAMIDE | A | 2P95 | 0.73 | ![]() |
BOS![]() | N-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDE | A | 2HD6 | 0.71 | ![]() |
TC8![]() | 3-(2,6-difluorophenyl)-2-(methylthio)quinazolin- 4(3H)-one | A | 3G3N | 0.71 | ![]() |
38M![]() | 3-(3-chlorophenyl)-2-({(1S)-1-[(6S)- 2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin- 4(3H)-one | A | 3F9N | 0.73 | ![]() |
XX4![]() | 3-(2-AMINO-6-BENZOYLQUINAZOLIN- 3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE | A,B,C | 2Q11 | 0.73 | ![]() |
LS5![]() | 3-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}- 2-OXO-2,3-DIHYDRO-1H-INDOLE | A | 1KE9 | 0.71 | ![]() |
DQB![]() | 4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN- 6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID | A | 1ZLY | 0.7 | ![]() |