Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03540923
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 |
DRQ | (9ALPHA,13BETA,17BETA)-2-[(1Z)- BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE- 3,17-DIOL | A,B | 2G5O | 0.73 | |
4FA | 4-FLUOROPHENETHYL ALCOHOL | A | 1OWZ | 0.71 | |
2DM | 2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATE | A,B | 1S88 | 0.78 | |
EST | ESTRADIOL | A,B | 1GWR | 0.72 | |
EST | ESTRADIOL | A | 1FDS | 0.72 | |
EST | ESTRADIOL | A,B,C | 1G50 | 0.72 | |
EST | ESTRADIOL | A,B,C,D,E,F | 1ERE | 0.72 | |
EST | ESTRADIOL | A,B | 1A52 | 0.72 | |
EST | ESTRADIOL | A | 1FDT | 0.72 | |
EST | ESTRADIOL | A | 2OCF | 0.72 | |
EST | ESTRADIOL | A,B,C | 1QKU | 0.72 | |
EST | ESTRADIOL | A,B,C,D,L | 1E6W | 0.72 | |
EST | ESTRADIOL | A | 1IOL | 0.72 | |
EST | ESTRADIOL | H | 1JNN | 0.72 | |
EST | ESTRADIOL | B | 1QKT | 0.72 | |
EST | ESTRADIOL | A | 1FDW | 0.72 | |
EST | ESTRADIOL | A,B | 1AQU | 0.72 | |
EST | ESTRADIOL | A | 1LHU | 0.72 | |
EST | ESTRADIOL | A | 1A27 | 0.72 | |
EST | ESTRADIOL | L | 1JGL | 0.72 | |
EST | ESTRADIOL | A,B,E,F | 1PCG | 0.72 | |
EST | ESTRADIOL | A,B,C,D | 1FDU | 0.72 | |
EST | ESTRADIOL | A | 2J7X | 0.72 | |
EST | ESTRADIOL | A,B | 2D06 | 0.72 | |
564 | 6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCY | 0.72 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.71 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.71 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.71 | |
PYP | 2'-DEOXYRIBOFURANOSYLPYRENE-5'- MONOPHOSPHATE | A,B | 1FZS | 0.76 | |
PYP | 2'-DEOXYRIBOFURANOSYLPYRENE-5'- MONOPHOSPHATE | A,B | 1FZL | 0.76 | |
TBC | (9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE | A | 1N8C | 0.99 | |
ANF | ANTHRONE | H | 2BJM | 0.77 | |
PPP | 3-PHENYL-1,2-PROPANDIOL | A,B | 1HRN | 0.73 | |
12M | (2-ETHYLPHENYL)METHANOL | A,B | 2F62 | 0.71 | |
NDH | (1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE | A,B | 1O7P | 0.72 | |
B08 | A,B | 2E99 | 0.75 | ||
I59 | HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID | A | 1O4G | 0.74 | |
184 | 6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCX | 0.76 | |
ETC | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2I | 0.71 | |
ETC | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2J | 0.71 | |
NLA | NAPHTHALEN-1-YL-ACETIC ACID | A,B,C,D | 1LRH | 0.73 | |
NLA | NAPHTHALEN-1-YL-ACETIC ACID | B | 2P1O | 0.73 | |
AN3 | ANTHRACENE | A,B | 2HMN | 0.73 | |
AN3 | ANTHRACENE | A,B | 2HMM | 0.73 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0D | 0.73 | |
PEL | 2-PHENYL-ETHANOL | D,H | 2I0T | 0.73 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1HZY | 0.73 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0B | 0.73 | |
PEL | 2-PHENYL-ETHANOL | A | 1EYW | 0.73 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1JGM | 0.73 | |
17M | 17-METHYL-17-ALPHA-DIHYDROEQUILENIN | A,B | 2B1Z | 0.72 | |
TBT | 8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE- 8,9,10-TRIOL | A | 1DJD | 0.87 | |
BPA | 7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE | A | 1JDG | 0.88 | |
PEY | PHENANTHRENE | A,B | 2HML | 0.73 | |
PEY | PHENANTHRENE | A,B | 2HMK | 0.73 | |
SS1 | 1-PHENYLETHANOL | H | 1UM5 | 0.71 | |
AN1 | 3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID | H,Y | 1LO3 | 0.77 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1AXV | 0.88 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,E | 2IBK | 0.88 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,B,C,D,E,F | 2IA6 | 0.88 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1Y9H | 0.88 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1FYY | 0.88 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1AXO | 0.88 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1DXA | 0.88 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1AXL | 0.88 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,B,D,E,F | 1S0M | 0.88 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1BPS | 0.88 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,C | 1XC9 | 0.88 | |
BZR | 1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1MXJ | 0.87 | |
BPI | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A,P,T | 2I9G | 0.87 | |
BPI | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 1HWV | 0.87 | |
BPJ | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 2ROU | 0.87 | |
BPJ | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 1HX4 | 0.87 | |
BNA | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | I | 4ER1 | 0.8 | |
BNA | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | A | 1FQ5 | 0.8 | |
B28 | A,B | 2E9A | 0.76 | ||
BZA | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1DL4 | 0.87 | |
BZA | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1I7V | 0.87 | |
BZA | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1QBY | 0.87 | |
1NP | 1-NAPHTHOL | X | 2ZVQ | 0.7 | |
2NA | naphthalen-2-ylmethanol | A,B,C | 3EE5 | 0.83 |