Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01988818
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 |
AEH | 4-(2-aminoethyl)-2-ethylphenol | A | 3BUG | 0.74 |  |
EPT | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.73 | |
CRS | M-CRESOL | A,B,C,D | 1EV3 | 0.73 | |
| CRS | M-CRESOL | A,B,C,D,E,F | 2OMG | 0.73 | |
| CRS | M-CRESOL | A,B | 1UZ9 | 0.73 | |
| CRS | M-CRESOL | A,B,C,D | 1ZEH | 0.73 | |
| CRS | M-CRESOL | A,B,C,D,E,F | 1ZEI | 0.73 | |
| CRS | M-CRESOL | A,C,D,E | 7INS | 0.73 | |
| CRS | M-CRESOL | A,B,C,D,E,G, I,K | 1EV6 | 0.73 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.7 | |
| OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG1 | 0.7 | |
| OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RH0 | 0.7 | |
| OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGU | 0.7 | |
| OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.7 | |
F16 | 5-(3-HYDROXYPHENYL)ISOTHIAZOL-3(2H)- ONE 1,1-DIOXIDE | A | 2CM8 | 0.74 | |
EYK | 2-tert-butylbenzene-1,4-diol | D,F | 3EYM | 0.7 | |
| EYK | 2-tert-butylbenzene-1,4-diol | B | 3EYK | 0.7 | |
TN1 | 5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL | A | 1YSG | 0.72 | |
LJ1 | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.71 | |
OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.7 | |
| OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.7 | |
| OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 2AN4 | 0.7 | |
SGI | 3-(4-hydroxyphenyl)propanamide | A,B | 2R9K | 0.71 | |
IPB | 5-METHYL-2-(1-METHYLETHYL)PHENOL | A,B | 1E06 | 0.72 | |
LYL | 2-ALLYL-6-METHYL-PHENOL | A | 1OV7 | 0.74 | |
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 | 0.74 | |
FCR | ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL | A,B | 1E0Y | 0.72 | |
| FCR | ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL | A,B | 1E8G | 0.72 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.71 | |
| DES | DIETHYLSTILBESTROL | A,B | 3ERD | 0.71 | |
| DES | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.71 | |
| DES | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.71 | |
AEF | 4-(2-aminoethyl)phenol | A | 3BRA | 0.74 | |
AEG | 4-[(2R)-2-aminopropyl]phenol | A | 3BUF | 0.73 | |
AED | 4-(2-aminoethyl)-2-cyclohexylphenol | A | 3BUH | 0.72 | |
2MP | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.71 | |
2HC | (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID | A,B | 1V5Z | 0.72 | |
DHR | (2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILE | A,B | 1E55 | 0.71 | |
PCR | P-CRESOL | A | 1JHV | 0.74 | |
| PCR | P-CRESOL | A | 1JHU | 0.74 | |
| PCR | P-CRESOL | A,B,C,D | 1DIQ | 0.74 | |
MBD | 3-METHYLCATECHOL | A | 1KNF | 0.71 | |
ETY | 4-ethylphenol | A,B,C,D | 2RA6 | 0.74 | |
2LP | 2-ALLYLPHENOL | A | 1OV5 | 0.77 | |
PFL | 2,6-BIS(1-METHYLETHYL)PHENOL | A,B | 1E7A | 0.72 | |