Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02546271
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 |
4BR | 2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE | A | 1PE7 | 0.72 | |
MSB | 1-METHYLOXY-4-SULFONE-BENZENE | A | 1EUB | 0.83 | |
MSB | 1-METHYLOXY-4-SULFONE-BENZENE | A | 1BM6 | 0.83 | |
INK | (RP,SP)-O-(2R)-(1-PHENOXYBUT-2- YL)-METHYLPHOSPHONIC ACID CHLORIDE | A | 1HQD | 0.74 | |
TH0 | 4-MERCAPTOBENZENE-1,3-DIOL | A | 2OSF | 0.7 | |
261 | 2-ethoxyphenol | X | 2RB1 | 0.74 | |
440 | 3-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane- 1-thiol | A | 3B92 | 0.79 | |
PSY | phenyl ethenesulfonate | A | 3BM8 | 0.72 | |
PSY | phenyl ethenesulfonate | A | 3BLT | 0.72 | |
HTS | 2-MERCAPTOPHENOL | A | 2OSM | 0.74 | |
LJ4 | 2,6-dibromo-4-phenoxyphenol | A,B | 3CN3 | 0.73 | |
BOP | 1-BROMO-4-METHOXYBENZENE | C,F | 1RHQ | 0.72 | |
268 | 2-phenoxyethanol | A | 2RBR | 0.79 | |
258 | (2-chloroethoxy)benzene | X | 2RAY | 0.8 | |
ZZ1 | 4-METHYL-2H-CHROMEN-2-ONE | A | 2CIP | 0.7 | |
EPL | DIETHYL 4-METHOXYPHENYL PHOSPHATE | A | 2R1N | 0.72 | |
283 | (3S)-1-{[4-(BUT-2-YN-1-YLOXY)PHENYL]SULFONYL}PYRROLIDINE- 3-THIOL | A | 2OI0 | 0.72 | |
POT | (1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE | A | 2NW6 | 0.74 | |
TF5 | 2-[(2',3',4'-TRIFLUOROBIPHENYL- 2-YL)OXY]ETHANOL | A,B | 2OP3 | 0.71 | |
DCN | DICLOSAN | A,B,C,D | 2PD4 | 0.71 |