Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03383978
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 |
F16 | 5-(3-HYDROXYPHENYL)ISOTHIAZOL-3(2H)- ONE 1,1-DIOXIDE | A | 2CM8 | 0.72 | |
HTS | 2-MERCAPTOPHENOL | A | 2OSM | 0.78 | |
BPY | BIPHENYL-2,3-DIOL | A | 1KMY | 0.7 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KW8 | 0.7 | |
BPY | BIPHENYL-2,3-DIOL | A | 2EI3 | 0.7 | |
BPY | BIPHENYL-2,3-DIOL | A | 1EIR | 0.7 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KW6 | 0.7 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KWC | 0.7 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KW9 | 0.7 | |
ETY | 4-ethylphenol | A,B,C,D | 2RA6 | 0.76 | |
EYK | 2-tert-butylbenzene-1,4-diol | D,F | 3EYM | 0.74 | |
EYK | 2-tert-butylbenzene-1,4-diol | B | 3EYK | 0.74 | |
EPT | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.75 | |
CRS | M-CRESOL | A,B,C,D | 1EV3 | 0.77 | |
CRS | M-CRESOL | A,B,C,D,E,F | 2OMG | 0.77 | |
CRS | M-CRESOL | A,B | 1UZ9 | 0.77 | |
CRS | M-CRESOL | A,B,C,D | 1ZEH | 0.77 | |
CRS | M-CRESOL | A,B,C,D,E,F | 1ZEI | 0.77 | |
CRS | M-CRESOL | A,C,D,E | 7INS | 0.77 | |
CRS | M-CRESOL | A,B,C,D,E,G, I,K | 1EV6 | 0.77 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.71 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.71 | |
8PP | 2-[(2E,6E,10E,14E,18E,22E,26E)- 3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA- 2,6,10,14,18,22,26,30-OCTAENYL]PHENOL | A,B,C,D | 1Y0G | 0.75 | |
2MP | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.73 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.74 | |
DES | DIETHYLSTILBESTROL | A,B | 3ERD | 0.74 | |
DES | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.74 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.74 | |
HC4 | A | 1TS6 | 0.71 | ||
HC4 | A | 3PHY | 0.71 | ||
HC4 | A | 3PYP | 0.71 | ||
HC4 | A | 1T1C | 0.71 | ||
HC4 | A | 1OT6 | 0.71 | ||
HC4 | A | 1TS0 | 0.71 | ||
HC4 | A | 1T1A | 0.71 | ||
HC4 | A | 2PYP | 0.71 | ||
HC4 | A | 2ZOI | 0.71 | ||
HC4 | A | 1OTI | 0.71 | ||
HC4 | A | 1XFQ | 0.71 | ||
HC4 | A | 2D01 | 0.71 | ||
HC4 | A,B,C,D,E,F, G,H | 2O7B | 0.71 | ||
HC4 | A | 2ZOH | 0.71 | ||
HC4 | A | 1GSW | 0.71 | ||
HC4 | A | 2QJ7 | 0.71 | ||
HC4 | A | 1F9I | 0.71 | ||
HC4 | X | 1UWP | 0.71 | ||
HC4 | A | 2PHY | 0.71 | ||
HC4 | A | 1T1B | 0.71 | ||
HC4 | A | 1F98 | 0.71 | ||
HC4 | A | 1T19 | 0.71 | ||
HC4 | X | 1UWN | 0.71 | ||
HC4 | A,B,C,D,E,F, G,H | 2O7F | 0.71 | ||
HC4 | A | 1UGU | 0.71 | ||
HC4 | A | 1TS8 | 0.71 | ||
HC4 | A,B | 1OTD | 0.71 | ||
HC4 | A | 1OTE | 0.71 | ||
HC4 | A | 1GSX | 0.71 | ||
HC4 | A | 1TS7 | 0.71 | ||
HC4 | A | 2PYR | 0.71 | ||
HC4 | A | 1S4S | 0.71 | ||
HC4 | A | 1GSV | 0.71 | ||
HC4 | A | 2I9V | 0.71 | ||
HC4 | A | 2QWS | 0.71 | ||
HC4 | A | 1XFN | 0.71 | ||
HC4 | A | 1S4R | 0.71 | ||
HC4 | A | 1T18 | 0.71 | ||
HC4 | A | 1OTA | 0.71 | ||
HC4 | A | 1D7E | 0.71 | ||
HC4 | A | 1S1Z | 0.71 | ||
HC4 | A,B,C | 1MZU | 0.71 | ||
HC4 | A,B | 1ODV | 0.71 | ||
HC4 | A,B | 2J3J | 0.71 | ||
HC4 | A | 2QJ5 | 0.71 | ||
HC4 | A | 1OTB | 0.71 | ||
HC4 | A | 2D02 | 0.71 | ||
HC4 | A | 1OT9 | 0.71 | ||
HC4 | A | 1NWZ | 0.71 | ||
HC4 | A | 1S1Y | 0.71 | ||
2HC | (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID | A,B | 1V5Z | 0.73 | |
FHC | 2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE | A | 2OPA | 0.7 | |
FHC | 2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE | A,B,C | 1MFI | 0.7 | |
FHC | 2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE | A,B | 1GYY | 0.7 | |
FCR | ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL | A,B | 1E0Y | 0.74 | |
FCR | ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL | A,B | 1E8G | 0.74 | |
1OH | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.7 | |
178 | 4-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)- 2-ISOPROPYLPHENOL | A,B | 1TVE | 0.76 | |
2LP | 2-ALLYLPHENOL | A | 1OV5 | 0.78 | |
BHQ | 2,5-DITERT-BUTYLBENZENE-1,4-DIOL | A,B | 2AGV | 0.7 | |
HSP | 4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACID | A,B | 1CW2 | 0.72 |