Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02623555
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 | 0.73 | ![]() |
RSO![]() | R-STYRENE OXIDE | A,B | 1PWZ | 0.74 | ![]() |
24B![]() | (2,4-DIFLUOROPHENYL)METHANOL | A,B | 1QV6 | 0.73 | ![]() |
NF2![]() | (1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO- 5-METHYLPHENYL)-5-O-PHOSPHONO-D- RIBITOL | A,B | 2G92 | 0.75 | ![]() |
NF2![]() | (1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO- 5-METHYLPHENYL)-5-O-PHOSPHONO-D- RIBITOL | A,B,C,D | 2Q1O | 0.75 | ![]() |
B28![]() | A,B | 2E9A | 0.74 | ![]() | |
SS2![]() | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.76 | ![]() |
SS2![]() | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.76 | ![]() |
SS2![]() | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.76 | ![]() |
MNN![]() | (S)-MANDELIC ACID NITRILE | A | 1YB6 | 0.71 | ![]() |
DFT![]() | 1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE | A | 1BW7 | 0.75 | ![]() |
DFT![]() | 1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE | A,T | 2VA3 | 0.75 | ![]() |
DFT![]() | 1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE | A,B,D,F | 2V9W | 0.75 | ![]() |
DFT![]() | 1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE | A,B,D,E,F | 2VA2 | 0.75 | ![]() |
DFT![]() | 1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE | 1,2 | 1EEK | 0.75 | ![]() |
I59![]() | HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID | A | 1O4G | 0.8 | ![]() |
PPP![]() | 3-PHENYL-1,2-PROPANDIOL | A,B | 1HRN | 0.72 | ![]() |
2DM![]() | 2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATE | A,B | 1S88 | 0.72 | ![]() |
2HS![]() | HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS2 | 0.77 | ![]() |
PYY![]() | D-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATE | A | 1G2J | 0.73 | ![]() |
2HR![]() | HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS1 | 0.77 | ![]() |
FFD![]() | (1R)-1,4-anhydro-2-deoxy-1-(3-fluorophenyl)- 5-O-phosphono-D-erythro-pentitol | A,B,C,D,E,F, G,H,I,J,K,L | 2PIS | 0.75 | ![]() |
341![]() | (3,5-difluorophenyl)methanol | C | 3EON | 0.72 | ![]() |
PIC![]() | 6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE- 2-CARBOXYLIC ACID | A | 1BZJ | 0.71 | ![]() |
2NA![]() | naphthalen-2-ylmethanol | A,B,C | 3EE5 | 0.73 | ![]() |
269![]() | (1R)-3-chloro-1-phenylpropan-1- ol | A | 2RBS | 0.71 | ![]() |
BR3![]() | (6-METHYL-3,4-DIHYDRO-2H-CHROMEN- 2-YL)METHYLPHOSPHINATE | A | 1PE5 | 0.7 | ![]() |
B08![]() | A,B | 2E99 | 0.75 | ![]() | |
FEP![]() | [(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)- PHENYL]-BUTYL}-PHENYL)-DIFLUORO- METHYL]-PHOSPHONIC ACID | A | 1KAV | 0.76 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1I0D | 0.71 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | D,H | 2I0T | 0.71 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1HZY | 0.71 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1I0B | 0.71 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A | 1EYW | 0.71 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1JGM | 0.71 | ![]() |
MXN![]() | (2R)-hydroxy(phenyl)ethanenitrile | A,B | 3GDN | 0.71 | ![]() |
DFB![]() | 2,3-DIFLUOROBENZYL ALCOHOL | A,B | 1QV7 | 0.73 | ![]() |
DFB![]() | 2,3-DIFLUOROBENZYL ALCOHOL | A,B,C,D | 1MG0 | 0.73 | ![]() |
SRL![]() | [2-(3,5-DI-TERT-BUTYL-4-HYDROXY- PHENYL)-1-(DIETHOXY-PHOSPHORYL)- VINYL]-PHOSPHONIC ACID DIETHLYL ESTER | A | 1ILH | 0.72 | ![]() |
SRL![]() | [2-(3,5-DI-TERT-BUTYL-4-HYDROXY- PHENYL)-1-(DIETHOXY-PHOSPHORYL)- VINYL]-PHOSPHONIC ACID DIETHLYL ESTER | A,B | 1NRL | 0.72 | ![]() |
OBZ![]() | O-benzylhydroxylamine | A,B | 3DTH | 0.72 | ![]() |
OBZ![]() | O-benzylhydroxylamine | A,B | 3DTG | 0.72 | ![]() |
4FA![]() | 4-FLUOROPHENETHYL ALCOHOL | A | 1OWZ | 0.72 | ![]() |
SS1![]() | 1-PHENYLETHANOL | H | 1UM5 | 0.76 | ![]() |
BPM![]() | 4-PHOSPHONOOXY-PHENYL-METHYL-[4- PHOSPHONOOXY]BENZEN | A | 1AAX | 0.79 | ![]() |
1NH![]() | (2E,6E)-8-[(3-BENZOYLBENZYL)OXY]- 3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE | B | 1O1S | 0.71 | ![]() |
FNP![]() | {[7-(DIFLUORO-PHOSPHONO-METHYL)- NAPHTHALEN-2-YL]-DIFLUORO-METHYL}- PHOSPHONIC ACID | A | 1KAK | 0.73 | ![]() |
12M![]() | (2-ETHYLPHENYL)METHANOL | A,B | 2F62 | 0.72 | ![]() |