Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02250365
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 |
258 | (2-chloroethoxy)benzene | X | 2RAY | 0.74 | |
LJ4 | 2,6-dibromo-4-phenoxyphenol | A,B | 3CN3 | 0.8 | |
POT | (1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE | A | 2NW6 | 0.71 | |
268 | 2-phenoxyethanol | A | 2RBR | 0.75 | |
G12 | 3,8-DIBROMO-7-HYDROXY-4-METHYL- 2H-CHROMEN-2-ONE | A | 2QC6 | 0.74 | |
U01 | 3-[1-(4-BROMO-PHENYL)-2-METHYL- PROPYL]-4-HYDROXY-CHROMEN-2-ONE | A | 1UPJ | 0.71 | |
261 | 2-ethoxyphenol | X | 2RB1 | 0.71 | |
COU | COUMARIN | A | 3CRB | 0.75 | |
COU | COUMARIN | A | 2PMJ | 0.75 | |
COU | COUMARIN | A | 2H90 | 0.75 | |
COU | COUMARIN | A,B,C,D | 1Z10 | 0.75 | |
COU | COUMARIN | A | 2PWB | 0.75 | |
BML | 4-BROMOPHENOL | A,B,E | 3DHH | 0.73 | |
BML | 4-BROMOPHENOL | A,B | 1XU3 | 0.73 | |
BML | 4-BROMOPHENOL | A,B | 1T0S | 0.73 | |
2BR | 2-BROMOPHENOL | A,B,C,D | 2A9W | 0.74 | |
4HC | 4-HYDROXY-2H-CHROMEN-2-ONE | A,B | 1V5Y | 0.72 | |
DBA | (2,6-DIMETHYL-PHENOXY)-ACETIC ACID | A,B | 1IDB | 0.7 | |
INK | (RP,SP)-O-(2R)-(1-PHENOXYBUT-2- YL)-METHYLPHOSPHONIC ACID CHLORIDE | A | 1HQD | 0.71 | |
OEF | 3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACID | A | 2J4A | 0.7 | |
ZZ1 | 4-METHYL-2H-CHROMEN-2-ONE | A | 2CIP | 0.75 | |
BOP | 1-BROMO-4-METHOXYBENZENE | C,F | 1RHQ | 0.85 |