Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00104057
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 |
XXZ![]() | 1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO- 1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]- 4'-AMINE | A,B | 3E65 | 0.7 | ![]() |
APQ![]() | 2,6-DIAMINO-8-PROPYLSULFANYLMETHYL- 3H-QUINAZOLINE-4-ONE | A | 1K4H | 0.72 | ![]() |
ZMG![]() | (5R)-2-[(2-fluorophenyl)amino]- 5-(1-methylethyl)-1,3-thiazol-4(5H)- one | A,B,C,D | 2RBE | 0.71 | ![]() |
TC8![]() | 3-(2,6-difluorophenyl)-2-(methylthio)quinazolin- 4(3H)-one | A | 3G3N | 0.72 | ![]() |
4PG![]() | 1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine | U | 2R2W | 0.75 | ![]() |
LGD![]() | 6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]- 4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)- ONE | A | 2HVC | 0.77 | ![]() |
12Q![]() | 1-METHYLQUINOLIN-2(1H)-ONE | A,B | 2F64 | 0.73 | ![]() |
G1L![]() | 3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A,B | 2I80 | 0.74 | ![]() |
SII![]() | N-(4-{[4-(cyclohexylamino)-1-(3- fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec- 3-en-8-yl]methyl}phenyl)acetamide | A | 3FKT | 0.71 | ![]() |
G3E![]() | 3-hydroxyquinolin-2(1H)-one | A,B,C,D | 3G3E | 0.71 | ![]() |
TPM![]() | 2-(4-AMINOBENZYLAMINO)-3,4,5,6- TETRAHYDROPYRIDINIUM | J,K,L | 1F3D | 0.72 | ![]() |
AGB![]() | N-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREA | A | 1EJN | 0.7 | ![]() |
LFN![]() | LUMIFLAVIN | A | 2CCC | 0.71 | ![]() |
MAQ![]() | 2-AMINO-8-METHYLQUINAZOLIN-4(3H)- ONE | A | 1S38 | 0.79 | ![]() |
GP6![]() | 1-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENYL)UREA | A | 1BJU | 0.71 | ![]() |
V15![]() | 2-AMINO-6-(2-PHENYLETHYL)PYRIMIDIN- 4(3H)-ONE | A | 2V00 | 0.78 | ![]() |
RJ1![]() | N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide | A,B,C,D | 3DGA | 0.76 | ![]() |
PL0![]() | 1-phenylguanidine | A | 2O8W | 0.73 | ![]() |
OCH![]() | QUINOLIN-2(1H)-ONE | A,B,C,D,E,F | 1Z03 | 0.77 | ![]() |
ZAT![]() | 4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE) | A | 2W0J | 0.71 | ![]() |
BSU![]() | 1,3-DIPHENYLUREA | A | 3E85 | 0.72 | ![]() |
BSU![]() | 1,3-DIPHENYLUREA | A | 2ZJF | 0.72 | ![]() |
AQO![]() | 2-AMINOQUINAZOLIN-4(3H)-ONE | A | 1S39 | 0.78 | ![]() |