Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02866549
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 |
AN1 | 3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID | H,Y | 1LO3 | 0.71 | |
KTP | (2-NAPHTHALEN-2-YL-1-NAPHTHALEN- 1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID | A,B | 1KYN | 0.79 | |
PYP | 2'-DEOXYRIBOFURANOSYLPYRENE-5'- MONOPHOSPHATE | A,B | 1FZS | 0.71 | |
PYP | 2'-DEOXYRIBOFURANOSYLPYRENE-5'- MONOPHOSPHATE | A,B | 1FZL | 0.71 | |
B08 | A,B | 2E99 | 0.75 | ||
2DM | 2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATE | A,B | 1S88 | 0.74 | |
2HR | HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS1 | 0.76 | |
BNA | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | I | 4ER1 | 0.71 | |
BNA | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | A | 1FQ5 | 0.71 | |
2HS | HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS2 | 0.76 | |
TBC | (9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE | A | 1N8C | 0.75 | |
FNP | {[7-(DIFLUORO-PHOSPHONO-METHYL)- NAPHTHALEN-2-YL]-DIFLUORO-METHYL}- PHOSPHONIC ACID | A | 1KAK | 0.77 | |
I59 | HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID | A | 1O4G | 0.75 | |
TBT | 8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE- 8,9,10-TRIOL | A | 1DJD | 0.71 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1DPM | 0.79 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1P6B | 0.79 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1PSC | 0.79 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 3E3H | 0.79 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1QW7 | 0.79 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1P6C | 0.79 | |
BZA | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1DL4 | 0.71 | |
BZA | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1I7V | 0.71 | |
BZA | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1QBY | 0.71 | |
BPJ | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 2ROU | 0.71 | |
BPJ | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 1HX4 | 0.71 | |
AN3 | ANTHRACENE | A,B | 2HMN | 0.78 | |
AN3 | ANTHRACENE | A,B | 2HMM | 0.78 | |
BPI | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A,P,T | 2I9G | 0.71 | |
BPI | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 1HWV | 0.71 | |
BZR | 1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1MXJ | 0.71 | |
B28 | A,B | 2E9A | 0.76 | ||
FEP | [(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)- PHENYL]-BUTYL}-PHENYL)-DIFLUORO- METHYL]-PHOSPHONIC ACID | A | 1KAV | 0.72 | |
B70 | tripotassium (1R)-4-biphenyl-4- yl-1-phosphonatobutane-1-sulfonate | A | 2ZCS | 0.71 | |
B69 | A | 2ZCR | 0.72 | ||
NPY | NAPHTHALENE | A,B | 1O7G | 0.71 | |
PEY | PHENANTHRENE | A,B | 2HML | 0.78 | |
PEY | PHENANTHRENE | A,B | 2HMK | 0.78 |