Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00733408
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 |
5PP | 5-PENTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B36 | 0.71 |  |
261 | 2-ethoxyphenol | X | 2RB1 | 0.77 | |
8PS | 5-OCTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B37 | 0.71 | |
BOP | 1-BROMO-4-METHOXYBENZENE | C,F | 1RHQ | 0.71 | |
PNT | 1,5-BIS(4-AMIDINOPHENOXY)PENTANE | X | 3CR4 | 0.71 | |
| PNT | 1,5-BIS(4-AMIDINOPHENOXY)PENTANE | B | 1D64 | 0.71 | |
| PNT | 1,5-BIS(4-AMIDINOPHENOXY)PENTANE | X | 3CR5 | 0.71 | |
| PNT | 1,5-BIS(4-AMIDINOPHENOXY)PENTANE | A,B,D,E | 1RKW | 0.71 | |
YR3 | (2S)-3-{4-[1-ethyl-1-(4-{[(2R)- 2-hydroxy-3,3-dimethylbutyl]oxy}- 3-methylphenyl)propyl]-2-methylphenoxy}propane- 1,2-diol | A | 2ZFX | 0.71 | |
SFX | (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWW | 0.72 | |
RFX | (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWV | 0.72 | |
INK | (RP,SP)-O-(2R)-(1-PHENOXYBUT-2- YL)-METHYLPHOSPHONIC ACID CHLORIDE | A | 1HQD | 0.78 | |
PFI | (6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO- 4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY- 5,6-DIHYDRO-2H-PYRAN-2-ONE | A | 2HAI | 0.7 | |
TRT | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.74 | |
| TRT | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.74 | |
TON | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL | A,B | 1SEZ | 0.72 | |
4BR | 2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE | A | 1PE7 | 0.75 | |
440 | 3-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane- 1-thiol | A | 3B92 | 0.71 | |
DCN | DICLOSAN | A,B,C,D | 2PD4 | 0.7 | |
LJ4 | 2,6-dibromo-4-phenoxyphenol | A,B | 3CN3 | 0.73 | |
CTX | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINE | A,B,C | 1YA4 | 0.72 | |
POT | (1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE | A | 2NW6 | 0.78 | |
EPL | DIETHYL 4-METHOXYPHENYL PHOSPHATE | A | 2R1N | 0.77 | |
TF5 | 2-[(2',3',4'-TRIFLUOROBIPHENYL- 2-YL)OXY]ETHANOL | A,B | 2OP3 | 0.8 | |
MSB | 1-METHYLOXY-4-SULFONE-BENZENE | A | 1EUB | 0.72 | |
| MSB | 1-METHYLOXY-4-SULFONE-BENZENE | A | 1BM6 | 0.72 | |
DC8 | (3AS,4R,9BR)-2,2-DIFLUORO-4-(4- HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 8-OL | A,B | 2Q70 | 0.72 | |
| DC8 | (3AS,4R,9BR)-2,2-DIFLUORO-4-(4- HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 8-OL | A,B | 2Z4B | 0.72 | |
258 | (2-chloroethoxy)benzene | X | 2RAY | 0.81 | |
GMN | 2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N- TRIETHYLETHANAMINIUM] | A,B | 1N5M | 0.72 | |
268 | 2-phenoxyethanol | A | 2RBR | 0.82 | |