Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03372895
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 |
2HR | HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS1 | 0.78 | |
2MP | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.72 | |
2HS | HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS2 | 0.78 | |
INK | (RP,SP)-O-(2R)-(1-PHENOXYBUT-2- YL)-METHYLPHOSPHONIC ACID CHLORIDE | A | 1HQD | 0.75 | |
TRT | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.72 | |
TRT | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.72 | |
EYK | 2-tert-butylbenzene-1,4-diol | D,F | 3EYM | 0.73 | |
EYK | 2-tert-butylbenzene-1,4-diol | B | 3EYK | 0.73 | |
ETY | 4-ethylphenol | A,B,C,D | 2RA6 | 0.76 | |
BR3 | (6-METHYL-3,4-DIHYDRO-2H-CHROMEN- 2-YL)METHYLPHOSPHINATE | A | 1PE5 | 0.74 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.71 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.71 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.71 | |
EPL | DIETHYL 4-METHOXYPHENYL PHOSPHATE | A | 2R1N | 0.79 | |
IPH | PHENOL | A,B | 2OLD | 0.7 | |
IPH | PHENOL | A,B,C,D | 2PZV | 0.7 | |
IPH | PHENOL | A | 1LI2 | 0.7 | |
IPH | PHENOL | A | 2J9N | 0.7 | |
IPH | PHENOL | A,B,C,D | 2OMB | 0.7 | |
IPH | PHENOL | A | 1JHX | 0.7 | |
IPH | PHENOL | A,B,C,D | 2VE7 | 0.7 | |
IPH | PHENOL | B,D,E,G,H,J,L | 1AI0 | 0.7 | |
IPH | PHENOL | A,B,C,D | 1FOH | 0.7 | |
IPH | PHENOL | A | 1V03 | 0.7 | |
IPH | PHENOL | A,C,E,G,I,K | 5AIY | 0.7 | |
IPH | PHENOL | B,D,F,H,J,L | 1AIY | 0.7 | |
IPH | PHENOL | A,B | 1XU5 | 0.7 | |
IPH | PHENOL | A,B,C,D,E,G, I,K | 1W8P | 0.7 | |
IPH | PHENOL | A,C,E,G,I,K | 4AIY | 0.7 | |
IPH | PHENOL | A,B,C,D,E,F, G,H | 1XDA | 0.7 | |
IPH | PHENOL | A | 2AS3 | 0.7 | |
IPH | PHENOL | A,B,C,D | 1ZEG | 0.7 | |
IPH | PHENOL | A,B,C,D | 1PN0 | 0.7 | |
IPH | PHENOL | A,B,C,D | 1XW7 | 0.7 | |
IPH | PHENOL | A,C,E,G,I,K,M | 1QIY | 0.7 | |
IPH | PHENOL | A,B,C,D | 1Q4V | 0.7 | |
IPH | PHENOL | B | 1AI7 | 0.7 | |
IPH | PHENOL | A | 1FJW | 0.7 | |
IPH | PHENOL | B,C,D | 1RWE | 0.7 | |
IPH | PHENOL | A,B,C,D,E,G, H,I,K | 1ZNJ | 0.7 | |
IPH | PHENOL | B,C,D | 3GKY | 0.7 | |
IPH | PHENOL | A | 1JHY | 0.7 | |
IPH | PHENOL | A,C,E,G,I,K | 3AIY | 0.7 | |
IPH | PHENOL | A,B | 2OMN | 0.7 | |
IPH | PHENOL | A,C,E,G,I,K | 2AIY | 0.7 | |
IPH | PHENOL | A,B,D | 1MPJ | 0.7 | |
IPH | PHENOL | A,B,C,D,F,G, H,J | 1WAV | 0.7 | |
IPH | PHENOL | B,C,D | 1LPH | 0.7 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.77 | |
DES | DIETHYLSTILBESTROL | A,B | 3ERD | 0.77 | |
DES | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.77 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.77 | |
CRS | M-CRESOL | A,B,C,D | 1EV3 | 0.73 | |
CRS | M-CRESOL | A,B,C,D,E,F | 2OMG | 0.73 | |
CRS | M-CRESOL | A,B | 1UZ9 | 0.73 | |
CRS | M-CRESOL | A,B,C,D | 1ZEH | 0.73 | |
CRS | M-CRESOL | A,B,C,D,E,F | 1ZEI | 0.73 | |
CRS | M-CRESOL | A,C,D,E | 7INS | 0.73 | |
CRS | M-CRESOL | A,B,C,D,E,G, I,K | 1EV6 | 0.73 | |
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 | 0.77 | |
DHR | (2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILE | A,B | 1E55 | 0.7 | |
SRL | [2-(3,5-DI-TERT-BUTYL-4-HYDROXY- PHENYL)-1-(DIETHOXY-PHOSPHORYL)- VINYL]-PHOSPHONIC ACID DIETHLYL ESTER | A | 1ILH | 0.8 | |
SRL | [2-(3,5-DI-TERT-BUTYL-4-HYDROXY- PHENYL)-1-(DIETHOXY-PHOSPHORYL)- VINYL]-PHOSPHONIC ACID DIETHLYL ESTER | A,B | 1NRL | 0.8 | |
2LP | 2-ALLYLPHENOL | A | 1OV5 | 0.76 | |
PSY | phenyl ethenesulfonate | A | 3BM8 | 0.7 | |
PSY | phenyl ethenesulfonate | A | 3BLT | 0.7 | |
MBD | 3-METHYLCATECHOL | A | 1KNF | 0.7 | |
R12 | 9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)- 3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID | A | 3CBS | 0.72 | |
T3O | 4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3- OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL | A,B | 2G44 | 0.71 | |
299 | 2,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATE | A | 1O4E | 0.71 | |
262 | 2-FORMYLPHENYL DIHYDROGEN PHOSPHATE | A | 1O4D | 0.71 | |
BPZ | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.73 | |
HPS | PHENYL DIHYDROGEN PHOSPHATE | A | 1O4O | 0.8 | |
LYL | 2-ALLYL-6-METHYL-PHENOL | A | 1OV7 | 0.76 | |
HXS | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.78 | |
1OH | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.73 | |
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 | |
4BR | 2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE | A | 1PE7 | 0.76 | |
ESO | O3-PHOSPHONOESTRONE | B,C | 1ESS | 0.72 | |
EST | ESTRADIOL | A,B | 1GWR | 0.71 | |
EST | ESTRADIOL | A | 1FDS | 0.71 | |
EST | ESTRADIOL | A,B,C | 1G50 | 0.71 | |
EST | ESTRADIOL | A,B,C,D,E,F | 1ERE | 0.71 | |
EST | ESTRADIOL | A,B | 1A52 | 0.71 | |
EST | ESTRADIOL | A | 1FDT | 0.71 | |
EST | ESTRADIOL | A | 2OCF | 0.71 | |
EST | ESTRADIOL | A,B,C | 1QKU | 0.71 | |
EST | ESTRADIOL | A,B,C,D,L | 1E6W | 0.71 | |
EST | ESTRADIOL | A | 1IOL | 0.71 | |
EST | ESTRADIOL | H | 1JNN | 0.71 | |
EST | ESTRADIOL | B | 1QKT | 0.71 | |
EST | ESTRADIOL | A | 1FDW | 0.71 | |
EST | ESTRADIOL | A,B | 1AQU | 0.71 | |
EST | ESTRADIOL | A | 1LHU | 0.71 | |
EST | ESTRADIOL | A | 1A27 | 0.71 | |
EST | ESTRADIOL | L | 1JGL | 0.71 | |
EST | ESTRADIOL | A,B,E,F | 1PCG | 0.71 | |
EST | ESTRADIOL | A,B,C,D | 1FDU | 0.71 | |
EST | ESTRADIOL | A | 2J7X | 0.71 | |
EST | ESTRADIOL | A,B | 2D06 | 0.71 | |
LJ1 | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.74 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.74 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.74 | |
SS1 | 1-PHENYLETHANOL | H | 1UM5 | 0.71 | |
PSN | BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE | A | 1O4K | 0.71 | |
IPB | 5-METHYL-2-(1-METHYLETHYL)PHENOL | A,B | 1E06 | 0.76 | |
EPT | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.79 | |
BHQ | 2,5-DITERT-BUTYLBENZENE-1,4-DIOL | A,B | 2AGV | 0.72 | |
POT | (1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE | A | 2NW6 | 0.75 | |
BPM | 4-PHOSPHONOOXY-PHENYL-METHYL-[4- PHOSPHONOOXY]BENZEN | A | 1AAX | 0.82 | |
PCR | P-CRESOL | A | 1JHV | 0.73 | |
PCR | P-CRESOL | A | 1JHU | 0.73 | |
PCR | P-CRESOL | A,B,C,D | 1DIQ | 0.73 | |
219 | CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE | A | 1O4I | 0.73 | |
TON | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL | A,B | 1SEZ | 0.71 | |
PFL | 2,6-BIS(1-METHYLETHYL)PHENOL | A,B | 1E7A | 0.77 |