Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00591015
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 |
MAQ![]() | 2-AMINO-8-METHYLQUINAZOLIN-4(3H)- ONE | A | 1S38 | 0.77 | ![]() |
4ND![]() | N4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINE | H,I | 1NO9 | 0.72 | ![]() |
PL0![]() | 1-phenylguanidine | A | 2O8W | 0.82 | ![]() |
12Q![]() | 1-METHYLQUINOLIN-2(1H)-ONE | A,B | 2F64 | 0.7 | ![]() |
T2D![]() | 1,2,5-THIADIAZOLIDIN-3-ONE-1,1- DIOXIDE | A | 2BGE | 0.7 | ![]() |
PH3![]() | N-(CHLOROPHENYL)-N'-HYDROXYGUANIDINE | A,B | 1DM6 | 0.73 | ![]() |
V15![]() | 2-AMINO-6-(2-PHENYLETHYL)PYRIMIDIN- 4(3H)-ONE | A | 2V00 | 0.76 | ![]() |
1MR![]() | N-METHYLANILINE | X | 2OTZ | 0.73 | ![]() |
BSU![]() | 1,3-DIPHENYLUREA | A | 3E85 | 0.82 | ![]() |
BSU![]() | 1,3-DIPHENYLUREA | A | 2ZJF | 0.82 | ![]() |
427![]() | (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL)PHENYL)GUANIDINE | A | 1ZMN | 0.74 | ![]() |
4PG![]() | 1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine | U | 2R2W | 0.73 | ![]() |
264![]() | (phenylamino)acetonitrile | A | 2RBN | 0.71 | ![]() |
NYL![]() | N-ALLYL-ANILINE | A | 1OVK | 0.71 | ![]() |
IAP![]() | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A | 1S6R | 0.75 | ![]() |
IAP![]() | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A,B | 1K6S | 0.75 | ![]() |
CBE![]() | 2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4- OXATHIINE-3-CARBOXAMIDE | A,B,C,D,N,O, P,Q | 2FBW | 0.72 | ![]() |
AQO![]() | 2-AMINOQUINAZOLIN-4(3H)-ONE | A | 1S39 | 0.74 | ![]() |
URS![]() | N-PHENYLTHIOUREA | A,B | 1BUG | 0.76 | ![]() |
OCH![]() | QUINOLIN-2(1H)-ONE | A,B,C,D,E,F | 1Z03 | 0.74 | ![]() |
CIU![]() | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A,B | 1EK1 | 0.76 | ![]() |
CIU![]() | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A | 1VJ5 | 0.76 | ![]() |
SHH![]() | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1C3S | 0.71 | ![]() |
SHH![]() | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C | 3C0Z | 0.71 | ![]() |
SHH![]() | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1T69 | 0.71 | ![]() |
SHH![]() | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C,D | 1ZZ1 | 0.71 | ![]() |
ZMG![]() | (5R)-2-[(2-fluorophenyl)amino]- 5-(1-methylethyl)-1,3-thiazol-4(5H)- one | A,B,C,D | 2RBE | 0.74 | ![]() |
PHJ![]() | N-[(AMINOOXY)CARBONYL]-N-PHENYLAMINE | A,B | 1UR9 | 0.73 | ![]() |