Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00091722
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 |
PH3 | N-(CHLOROPHENYL)-N'-HYDROXYGUANIDINE | A,B | 1DM6 | 0.75 | |
4ND | N4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINE | H,I | 1NO9 | 0.72 | |
TPM | 2-(4-AMINOBENZYLAMINO)-3,4,5,6- TETRAHYDROPYRIDINIUM | J,K,L | 1F3D | 0.73 | |
1AN | 2-FLUOROANILINE | A | 1LGW | 0.72 | |
427 | (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL)PHENYL)GUANIDINE | A | 1ZMN | 0.74 | |
PHJ | N-[(AMINOOXY)CARBONYL]-N-PHENYLAMINE | A,B | 1UR9 | 0.71 | |
BSU | 1,3-DIPHENYLUREA | A | 3E85 | 0.81 | |
BSU | 1,3-DIPHENYLUREA | A | 2ZJF | 0.81 | |
CIU | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A,B | 1EK1 | 0.74 | |
CIU | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A | 1VJ5 | 0.74 | |
RJ1 | N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide | A,B,C,D | 3DGA | 0.74 | |
NYL | N-ALLYL-ANILINE | A | 1OVK | 0.75 | |
U13 | 4-(4-FLUORO-PHENYLAZO)-5-IMINO- 5H-PYRAZOL-3-YLAMINE | A | 2GG3 | 0.71 | |
264 | (phenylamino)acetonitrile | A | 2RBN | 0.74 | |
ZMG | (5R)-2-[(2-fluorophenyl)amino]- 5-(1-methylethyl)-1,3-thiazol-4(5H)- one | A,B,C,D | 2RBE | 0.73 | |
PTU | 2-ETHYL-1-PHENYL-ISOTHIOUREA | A,B | 1K2T | 0.72 | |
PTU | 2-ETHYL-1-PHENYL-ISOTHIOUREA | A,B | 1D1V | 0.72 | |
5AN | 3,5-DIFLUOROANILINE | A | 1LGX | 0.71 | |
PL0 | 1-phenylguanidine | A | 2O8W | 0.86 | |
URS | N-PHENYLTHIOUREA | A,B | 1BUG | 0.8 | |
1MR | N-METHYLANILINE | X | 2OTZ | 0.76 |