Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02123880
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 |
NYL | N-ALLYL-ANILINE | A | 1OVK | 0.8 | |
TFM | S-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREA | A,B | 1K2U | 0.7 | |
1AN | 2-FLUOROANILINE | A | 1LGW | 0.78 | |
CBE | 2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4- OXATHIINE-3-CARBOXAMIDE | A,B,C,D,N,O, P,Q | 2FBW | 0.71 | |
IAP | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A | 1S6R | 0.74 | |
IAP | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A,B | 1K6S | 0.74 | |
URS | N-PHENYLTHIOUREA | A,B | 1BUG | 0.84 | |
XYD | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.7 | |
XYD | 2,5-DIMETHYLANILINE | A | 1L4L | 0.7 | |
ANL | ANILINE | A | 2OV4 | 0.75 | |
ANL | ANILINE | A | 1AEE | 0.75 | |
ANL | ANILINE | A | 1PPA | 0.75 | |
ANL | ANILINE | A | 1HJ9 | 0.75 | |
APB | M-AMINOPHENYLBORONIC ACID | A,B | 3BLS | 0.73 | |
CF3 | 9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE | A,B,C,D | 2GH6 | 0.7 | |
PRY | 2-PROPYL-ANILINE | A | 1OWY | 0.71 | |
1MR | N-METHYLANILINE | X | 2OTZ | 0.82 | |
FLM | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.74 | |
PL0 | 1-phenylguanidine | A | 2O8W | 0.75 | |
171 | 2-PHENYLAMINO-ETHANESULFONIC ACID | A,B | 1SXG | 0.75 | |
BSU | 1,3-DIPHENYLUREA | A | 3E85 | 0.74 | |
BSU | 1,3-DIPHENYLUREA | A | 2ZJF | 0.74 | |
ASR | 4-AMINOPHENYLARSONIC ACID | A | 1N4F | 0.73 | |
PTU | 2-ETHYL-1-PHENYL-ISOTHIOUREA | A,B | 1K2T | 0.75 | |
PTU | 2-ETHYL-1-PHENYL-ISOTHIOUREA | A,B | 1D1V | 0.75 | |
ZMG | (5R)-2-[(2-fluorophenyl)amino]- 5-(1-methylethyl)-1,3-thiazol-4(5H)- one | A,B,C,D | 2RBE | 0.73 | |
264 | (phenylamino)acetonitrile | A | 2RBN | 0.78 | |
PHJ | N-[(AMINOOXY)CARBONYL]-N-PHENYLAMINE | A,B | 1UR9 | 0.74 | |
5AN | 3,5-DIFLUOROANILINE | A | 1LGX | 0.76 |