Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02358176
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 |
NDH | (1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE | A,B | 1O7P | 0.75 | |
HXS | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.71 | |
2NA | naphthalen-2-ylmethanol | A,B,C | 3EE5 | 0.72 | |
SS1 | 1-PHENYLETHANOL | H | 1UM5 | 0.78 | |
IOB | 3-IODO-BENZYL ALCOHOL | A,B | 1QK0 | 0.71 | |
178 | 4-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)- 2-ISOPROPYLPHENOL | A,B | 1TVE | 0.74 | |
TBT | 8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE- 8,9,10-TRIOL | A | 1DJD | 0.7 | |
BZA | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1DL4 | 0.7 | |
BZA | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1I7V | 0.7 | |
BZA | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1QBY | 0.7 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.73 | |
DES | DIETHYLSTILBESTROL | A,B | 3ERD | 0.73 | |
DES | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.73 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.73 | |
PPP | 3-PHENYL-1,2-PROPANDIOL | A,B | 1HRN | 0.73 | |
BPJ | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 2ROU | 0.7 | |
BPJ | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 1HX4 | 0.7 | |
BPI | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A,P,T | 2I9G | 0.7 | |
BPI | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 1HWV | 0.7 | |
DFB | 2,3-DIFLUOROBENZYL ALCOHOL | A,B | 1QV7 | 0.71 | |
DFB | 2,3-DIFLUOROBENZYL ALCOHOL | A,B,C,D | 1MG0 | 0.71 | |
BZR | 1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1MXJ | 0.7 | |
OBP | A,B | 2DE3 | 0.72 | ||
I59 | HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID | A | 1O4G | 0.71 | |
12M | (2-ETHYLPHENYL)METHANOL | A,B | 2F62 | 0.74 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.78 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.78 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.78 | |
MXN | (2R)-hydroxy(phenyl)ethanenitrile | A,B | 3GDN | 0.73 | |
269 | (1R)-3-chloro-1-phenylpropan-1- ol | A | 2RBS | 0.74 | |
24B | (2,4-DIFLUOROPHENYL)METHANOL | A,B | 1QV6 | 0.71 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0D | 0.72 | |
PEL | 2-PHENYL-ETHANOL | D,H | 2I0T | 0.72 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1HZY | 0.72 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0B | 0.72 | |
PEL | 2-PHENYL-ETHANOL | A | 1EYW | 0.72 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1JGM | 0.72 | |
LJ1 | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.7 | |
256 | PHENYL(SULFO)ACETIC ACID | A | 1O4Q | 0.7 | |
CGT | CARBA-GLUCOTROPAEOLIN | M | 1W9B | 0.72 | |
MNN | (S)-MANDELIC ACID NITRILE | A | 1YB6 | 0.73 |