Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02548598
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 |
DES![]() | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.7 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B | 3ERD | 0.7 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.7 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.7 | ![]() |
MNN![]() | (S)-MANDELIC ACID NITRILE | A | 1YB6 | 0.76 | ![]() |
PCQ![]() | 3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL | A,B | 1G3M | 0.75 | ![]() |
PCQ![]() | 3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL | A,B | 2G5U | 0.75 | ![]() |
SS2![]() | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.81 | ![]() |
SS2![]() | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.81 | ![]() |
SS2![]() | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.81 | ![]() |
341![]() | (3,5-difluorophenyl)methanol | C | 3EON | 0.77 | ![]() |
24B![]() | (2,4-DIFLUOROPHENYL)METHANOL | A,B | 1QV6 | 0.78 | ![]() |
43M![]() | 4-CHLORO-3-METHYLPHENOL | A | 2P7A | 0.72 | ![]() |
BP6![]() | 2',6'-DICHLORO-BIPHENYL-2,6-DIOL | A | 1LKD | 0.74 | ![]() |
PPP![]() | 3-PHENYL-1,2-PROPANDIOL | A,B | 1HRN | 0.74 | ![]() |
I59![]() | HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID | A | 1O4G | 0.71 | ![]() |
NE2![]() | 3,3',4',5-TETRACHLOROBIPHENYL-4- OL | A,B | 2GAB | 0.75 | ![]() |
MXN![]() | (2R)-hydroxy(phenyl)ethanenitrile | A,B | 3GDN | 0.76 | ![]() |
LYL![]() | 2-ALLYL-6-METHYL-PHENOL | A | 1OV7 | 0.71 | ![]() |
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 | ![]() |
269![]() | (1R)-3-chloro-1-phenylpropan-1- ol | A | 2RBS | 0.85 | ![]() |
2NA![]() | naphthalen-2-ylmethanol | A,B,C | 3EE5 | 0.76 | ![]() |
SS1![]() | 1-PHENYLETHANOL | H | 1UM5 | 0.81 | ![]() |
4FA![]() | 4-FLUOROPHENETHYL ALCOHOL | A | 1OWZ | 0.77 | ![]() |
PFB![]() | 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL | A,B | 1MGO | 0.7 | ![]() |
PFB![]() | 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL | A,B | 1HLD | 0.7 | ![]() |
295![]() | (2S,3S)-3-(4-fluorophenyl)-2,3- dihydroxypropanoic acid | A,B | 2RJR | 0.7 | ![]() |
174![]() | 4-CHLORO-BENZOIC ACID | X | 3DLP | 0.71 | ![]() |
174![]() | 4-CHLORO-BENZOIC ACID | X | 1T5D | 0.71 | ![]() |
THK![]() | 4-(4-CHLORO-PHENYL)-1-{3-[2-(4- FLUORO-PHENYL)-[1,3]DITHIOLAN-2- YL]-PROPYL}-PIPERIDIN-4-OL | B | 1AID | 0.7 | ![]() |
THK![]() | 4-(4-CHLORO-PHENYL)-1-{3-[2-(4- FLUORO-PHENYL)-[1,3]DITHIOLAN-2- YL]-PROPYL}-PIPERIDIN-4-OL | A,B | 2AID | 0.7 | ![]() |
1OH![]() | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.7 | ![]() |
IOB![]() | 3-IODO-BENZYL ALCOHOL | A,B | 1QK0 | 0.74 | ![]() |
DFB![]() | 2,3-DIFLUOROBENZYL ALCOHOL | A,B | 1QV7 | 0.78 | ![]() |
DFB![]() | 2,3-DIFLUOROBENZYL ALCOHOL | A,B,C,D | 1MG0 | 0.78 | ![]() |
2LP![]() | 2-ALLYLPHENOL | A | 1OV5 | 0.7 | ![]() |
LJ1![]() | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.7 | ![]() |
12M![]() | (2-ETHYLPHENYL)METHANOL | A,B | 2F62 | 0.77 | ![]() |
NDH![]() | (1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE | A,B | 1O7P | 0.76 | ![]() |
NE1![]() | 2',3,3',4',5-PENTACHLOROBIPHENYL- 4-OL | A,B | 2G9K | 0.74 | ![]() |
BP3![]() | 2'-CHLORO-BIPHENYL-2,3-DIOL | A | 1LGT | 0.76 | ![]() |
RSO![]() | R-STYRENE OXIDE | A,B | 1PWZ | 0.71 | ![]() |