Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02230879
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 |
IPB | 5-METHYL-2-(1-METHYLETHYL)PHENOL | A,B | 1E06 | 0.75 |  |
DFB | 2,3-DIFLUOROBENZYL ALCOHOL | A,B | 1QV7 | 0.8 | |
| DFB | 2,3-DIFLUOROBENZYL ALCOHOL | A,B,C,D | 1MG0 | 0.8 | |
OBZ | O-benzylhydroxylamine | A,B | 3DTH | 0.71 | |
| OBZ | O-benzylhydroxylamine | A,B | 3DTG | 0.71 | |
EYK | 2-tert-butylbenzene-1,4-diol | D,F | 3EYM | 0.73 | |
| EYK | 2-tert-butylbenzene-1,4-diol | B | 3EYK | 0.73 | |
NDH | (1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE | A,B | 1O7P | 0.74 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MRA | 0.74 | |
| APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MNS | 0.74 | |
| APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1DTN | 0.74 | |
| APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MDR | 0.74 | |
IOB | 3-IODO-BENZYL ALCOHOL | A,B | 1QK0 | 0.81 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.72 | |
| DES | DIETHYLSTILBESTROL | A,B | 3ERD | 0.72 | |
| DES | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.72 | |
| DES | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.72 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.81 | |
| SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.81 | |
| SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.81 | |
CRS | M-CRESOL | A,B,C,D | 1EV3 | 0.72 | |
| CRS | M-CRESOL | A,B,C,D,E,F | 2OMG | 0.72 | |
| CRS | M-CRESOL | A,B | 1UZ9 | 0.72 | |
| CRS | M-CRESOL | A,B,C,D | 1ZEH | 0.72 | |
| CRS | M-CRESOL | A,B,C,D,E,F | 1ZEI | 0.72 | |
| CRS | M-CRESOL | A,C,D,E | 7INS | 0.72 | |
| CRS | M-CRESOL | A,B,C,D,E,G, I,K | 1EV6 | 0.72 | |
2MP | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.74 | |
EPT | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.77 | |
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 | |
PFL | 2,6-BIS(1-METHYLETHYL)PHENOL | A,B | 1E7A | 0.79 | |
2NA | naphthalen-2-ylmethanol | A,B,C | 3EE5 | 0.74 | |
12M | (2-ETHYLPHENYL)METHANOL | A,B | 2F62 | 0.81 | |
FCR | ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL | A,B | 1E0Y | 0.77 | |
| FCR | ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL | A,B | 1E8G | 0.77 | |
LJ1 | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.73 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0D | 0.74 | |
| PEL | 2-PHENYL-ETHANOL | D,H | 2I0T | 0.74 | |
| PEL | 2-PHENYL-ETHANOL | A,B | 1HZY | 0.74 | |
| PEL | 2-PHENYL-ETHANOL | A,B | 1I0B | 0.74 | |
| PEL | 2-PHENYL-ETHANOL | A | 1EYW | 0.74 | |
| PEL | 2-PHENYL-ETHANOL | A,B | 1JGM | 0.74 | |
1OH | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.73 | |
PPP | 3-PHENYL-1,2-PROPANDIOL | A,B | 1HRN | 0.71 | |
24B | (2,4-DIFLUOROPHENYL)METHANOL | A,B | 1QV6 | 0.8 | |
2LP | 2-ALLYLPHENOL | A | 1OV5 | 0.75 | |
HXS | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.72 | |
269 | (1R)-3-chloro-1-phenylpropan-1- ol | A | 2RBS | 0.74 | |
SS1 | 1-PHENYLETHANOL | H | 1UM5 | 0.81 | |
LYL | 2-ALLYL-6-METHYL-PHENOL | A | 1OV7 | 0.79 | |
MXN | (2R)-hydroxy(phenyl)ethanenitrile | A,B | 3GDN | 0.75 | |
4FA | 4-FLUOROPHENETHYL ALCOHOL | A | 1OWZ | 0.75 | |
PFB | 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL | A,B | 1MGO | 0.74 | |
| PFB | 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL | A,B | 1HLD | 0.74 | |
ETY | 4-ethylphenol | A,B,C,D | 2RA6 | 0.75 | |
341 | (3,5-difluorophenyl)methanol | C | 3EON | 0.79 | |
MNN | (S)-MANDELIC ACID NITRILE | A | 1YB6 | 0.75 | |
PCR | P-CRESOL | A | 1JHV | 0.73 | |
| PCR | P-CRESOL | A | 1JHU | 0.73 | |
| PCR | P-CRESOL | A,B,C,D | 1DIQ | 0.73 | |
TN1 | 5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL | A | 1YSG | 0.71 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.72 | |
| 2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.72 | |
RSO | R-STYRENE OXIDE | A,B | 1PWZ | 0.71 | |