Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03349473
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 |
CSN | N,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUM | P | 1E2S | 0.73 | |
CSN | N,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUM | A | 1PA9 | 0.73 | |
REN | (S)-reticuline | A | 3FWA | 0.73 | |
REN | (S)-reticuline | A | 3D2D | 0.73 | |
SLX | (13aS)-3,10-dimethoxy-5,8,13,13a- tetrahydro-6H-isoquino[3,2-a]isoquinoline- 2,9-diol | A | 3FW9 | 0.73 | |
DNC | 3,5-DINITROCATECHOL | A | 3BWY | 0.73 | |
DNC | 3,5-DINITROCATECHOL | A | 3BWM | 0.73 | |
DNC | 3,5-DINITROCATECHOL | A | 1VID | 0.73 | |
4NC | 4-NITROCATECHOL | A | 1NO3 | 0.76 | |
4NC | 4-NITROCATECHOL | B | 2BUU | 0.76 | |
4NC | 4-NITROCATECHOL | B | 2BUZ | 0.76 | |
4NC | 4-NITROCATECHOL | B | 1EOC | 0.76 | |
DNT | 2-[1-METHYLHEXYL]-4,6-DINITROPHENOL | A,B,C | 1NEN | 0.72 | |
MOB | A,B | 1SRH | 0.71 | ||
GVB | (3R,4S)-1-(3,4-DIMETHOXYPHENYL)- 3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE | A,B | 2JID | 0.72 | |
EPN | 3-(4-NITRO-PHENOXY)-PROPAN-1-OL | A | 2SAM | 0.72 | |
B66 | 4-{[(1R,2S)-1,2-dihydroxy-2-methyl- 3-(4-nitrophenoxy)propyl]amino}- 2-(trifluoromethyl)benzonitrile | A | 3B66 | 0.71 |