Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00003916
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 |
AGB | N-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREA | A | 1EJN | 0.71 | |
GP6 | 1-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENYL)UREA | A | 1BJU | 0.72 | |
4ND | N4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINE | H,I | 1NO9 | 0.78 | |
CIU | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A,B | 1EK1 | 0.78 | |
CIU | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A | 1VJ5 | 0.78 | |
C1M | 1-(4-CHLOROPHENYL)-2,3-DIHYDRO- 1H-TETRAZOLE | B,I | 2C90 | 0.7 | |
NP2 | N-(3-AMINOPROPYL)-2-NITROBENZENAMINE | A | 1WUM | 0.7 | |
NYL | N-ALLYL-ANILINE | A | 1OVK | 0.81 | |
1JZ | 1-[4-(hydroxymethyl)phenyl]guanidine | B | 3FVF | 0.72 | |
4PG | 1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine | U | 2R2W | 0.72 | |
264 | (phenylamino)acetonitrile | A | 2RBN | 0.81 | |
APB | M-AMINOPHENYLBORONIC ACID | A,B | 3BLS | 0.74 | |
IAP | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A | 1S6R | 0.75 | |
IAP | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A,B | 1K6S | 0.75 | |
1AN | 2-FLUOROANILINE | A | 1LGW | 0.73 | |
ASR | 4-AMINOPHENYLARSONIC ACID | A | 1N4F | 0.74 | |
427 | (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL)PHENYL)GUANIDINE | A | 1ZMN | 0.82 | |
ANL | ANILINE | A | 2OV4 | 0.76 | |
ANL | ANILINE | A | 1AEE | 0.76 | |
ANL | ANILINE | A | 1PPA | 0.76 | |
ANL | ANILINE | A | 1HJ9 | 0.76 | |
5AN | 3,5-DIFLUOROANILINE | A | 1LGX | 0.71 | |
BSU | 1,3-DIPHENYLUREA | A | 3E85 | 0.86 | |
BSU | 1,3-DIPHENYLUREA | A | 2ZJF | 0.86 | |
171 | 2-PHENYLAMINO-ETHANESULFONIC ACID | A,B | 1SXG | 0.7 | |
1MR | N-METHYLANILINE | X | 2OTZ | 0.81 |