Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00302300
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 |
OBP | A,B | 2DE3 | 0.73 |  | |
178 | 4-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)- 2-ISOPROPYLPHENOL | A,B | 1TVE | 0.85 | |
S24 | S-(2,4-dihydroxyphenyl) hydrogen thiocarbonate | A | 2OSF | 0.72 | |
EYK | 2-tert-butylbenzene-1,4-diol | D,F | 3EYM | 0.73 | |
| EYK | 2-tert-butylbenzene-1,4-diol | B | 3EYK | 0.73 | |
ZTW | RALOXIFENE CORE | A,B | 1GWQ | 0.75 | |
LYL | 2-ALLYL-6-METHYL-PHENOL | A | 1OV7 | 0.72 | |
PCR | P-CRESOL | A | 1JHV | 0.71 | |
| PCR | P-CRESOL | A | 1JHU | 0.71 | |
| PCR | P-CRESOL | A,B,C,D | 1DIQ | 0.71 | |
EPT | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.75 | |
1OH | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.71 | |
HSP | 4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACID | A,B | 1CW2 | 0.76 | |
TH0 | 4-MERCAPTOBENZENE-1,3-DIOL | A | 2OSF | 0.7 | |
8PP | 2-[(2E,6E,10E,14E,18E,22E,26E)- 3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA- 2,6,10,14,18,22,26,30-OCTAENYL]PHENOL | A,B,C,D | 1Y0G | 0.73 | |
R12 | 9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)- 3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID | A | 3CBS | 0.7 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.75 | |
| DES | DIETHYLSTILBESTROL | A,B | 3ERD | 0.75 | |
| DES | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.75 | |
| DES | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.75 | |
HE1 | 4-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACID | A,B | 1C8V | 0.78 | |
| HE1 | 4-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACID | A,B | 1C29 | 0.78 | |
BHQ | 2,5-DITERT-BUTYLBENZENE-1,4-DIOL | A,B | 2AGV | 0.71 | |
IPB | 5-METHYL-2-(1-METHYLETHYL)PHENOL | A,B | 1E06 | 0.72 | |
HTS | 2-MERCAPTOPHENOL | A | 2OSM | 0.74 | |
PFL | 2,6-BIS(1-METHYLETHYL)PHENOL | A,B | 1E7A | 0.73 | |
BPZ | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.71 | |
2MP | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.71 | |
W29 | 4-(3-ethylthiophen-2-yl)benzene- 1,2-diol | A | 3D27 | 0.76 | |
ETY | 4-ethylphenol | A,B,C,D | 2RA6 | 0.73 | |
HXS | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.75 | |
HF1 | 4-(2-HYDROXY-4-FLUOROPHENYLTHIO)- BUTYLPHOSPHONIC ACID | A,B | 1C9D | 0.76 | |
2LP | 2-ALLYLPHENOL | A | 1OV5 | 0.72 | |
LJ1 | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.72 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.72 | |
| 2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.72 | |
CRS | M-CRESOL | A,B,C,D | 1EV3 | 0.71 | |
| CRS | M-CRESOL | A,B,C,D,E,F | 2OMG | 0.71 | |
| CRS | M-CRESOL | A,B | 1UZ9 | 0.71 | |
| CRS | M-CRESOL | A,B,C,D | 1ZEH | 0.71 | |
| CRS | M-CRESOL | A,B,C,D,E,F | 1ZEI | 0.71 | |
| CRS | M-CRESOL | A,C,D,E | 7INS | 0.71 | |
| CRS | M-CRESOL | A,B,C,D,E,G, I,K | 1EV6 | 0.71 | |