Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00022984
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 |
4FA![]() | 4-FLUOROPHENETHYL ALCOHOL | A | 1OWZ | 0.76 | ![]() |
43M![]() | 4-CHLORO-3-METHYLPHENOL | A | 2P7A | 0.75 | ![]() |
IOB![]() | 3-IODO-BENZYL ALCOHOL | A,B | 1QK0 | 0.79 | ![]() |
SS1![]() | 1-PHENYLETHANOL | H | 1UM5 | 0.78 | ![]() |
269![]() | (1R)-3-chloro-1-phenylpropan-1- ol | A | 2RBS | 0.83 | ![]() |
24B![]() | (2,4-DIFLUOROPHENYL)METHANOL | A,B | 1QV6 | 0.84 | ![]() |
BP3![]() | 2'-CHLORO-BIPHENYL-2,3-DIOL | A | 1LGT | 0.7 | ![]() |
NDH![]() | (1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE | A,B | 1O7P | 0.72 | ![]() |
2NA![]() | naphthalen-2-ylmethanol | A,B,C | 3EE5 | 0.74 | ![]() |
BGG![]() | CARBONIC ACID MONOBENZYL ESTER | B,D | 1DLK | 0.7 | ![]() |
2CL![]() | (2,6-DICHLOROPHENYL)ACETIC ACID | A | 2IPW | 0.71 | ![]() |
2CL![]() | (2,6-DICHLOROPHENYL)ACETIC ACID | A | 2IS7 | 0.71 | ![]() |
LYL![]() | 2-ALLYL-6-METHYL-PHENOL | A | 1OV7 | 0.71 | ![]() |
341![]() | (3,5-difluorophenyl)methanol | C | 3EON | 0.83 | ![]() |
PPP![]() | 3-PHENYL-1,2-PROPANDIOL | A,B | 1HRN | 0.71 | ![]() |
3BZ![]() | 3-chlorobenzoate | X | 2QVZ | 0.71 | ![]() |
3BZ![]() | 3-chlorobenzoate | X | 2QVX | 0.71 | ![]() |
SS2![]() | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.78 | ![]() |
SS2![]() | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.78 | ![]() |
SS2![]() | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.78 | ![]() |
DFB![]() | 2,3-DIFLUOROBENZYL ALCOHOL | A,B | 1QV7 | 0.84 | ![]() |
DFB![]() | 2,3-DIFLUOROBENZYL ALCOHOL | A,B,C,D | 1MG0 | 0.84 | ![]() |
OBZ![]() | O-benzylhydroxylamine | A,B | 3DTH | 0.72 | ![]() |
OBZ![]() | O-benzylhydroxylamine | A,B | 3DTG | 0.72 | ![]() |
MXN![]() | (2R)-hydroxy(phenyl)ethanenitrile | A,B | 3GDN | 0.75 | ![]() |
BRB![]() | PARA-BROMOBENZYL ALCOHOL | A,B | 1HLD | 0.73 | ![]() |
174![]() | 4-CHLORO-BENZOIC ACID | X | 3DLP | 0.71 | ![]() |
174![]() | 4-CHLORO-BENZOIC ACID | X | 1T5D | 0.71 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1I0D | 0.75 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | D,H | 2I0T | 0.75 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1HZY | 0.75 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1I0B | 0.75 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A | 1EYW | 0.75 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1JGM | 0.75 | ![]() |
12M![]() | (2-ETHYLPHENYL)METHANOL | A,B | 2F62 | 0.78 | ![]() |
MNN![]() | (S)-MANDELIC ACID NITRILE | A | 1YB6 | 0.75 | ![]() |
FCR![]() | ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL | A,B | 1E0Y | 0.73 | ![]() |
FCR![]() | ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL | A,B | 1E8G | 0.73 | ![]() |
PFB![]() | 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL | A,B | 1MGO | 0.75 | ![]() |
PFB![]() | 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL | A,B | 1HLD | 0.75 | ![]() |