Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01290945
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 |
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 | |
B76 | A,B | 2E9D | 0.75 | ||
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 | 0.72 | |
PSN | BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE | A | 1O4K | 0.74 | |
B28 | A,B | 2E9A | 0.72 | ||
HPS | PHENYL DIHYDROGEN PHOSPHATE | A | 1O4O | 0.72 | |
TF5 | 2-[(2',3',4'-TRIFLUOROBIPHENYL- 2-YL)OXY]ETHANOL | A,B | 2OP3 | 0.7 | |
1NP | 1-NAPHTHOL | X | 2ZVQ | 0.71 | |
B08 | A,B | 2E99 | 0.73 | ||
I59 | HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID | A | 1O4G | 0.71 | |
FCR | ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL | A,B | 1E0Y | 0.72 | |
FCR | ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL | A,B | 1E8G | 0.72 | |
EPL | DIETHYL 4-METHOXYPHENYL PHOSPHATE | A | 2R1N | 0.7 | |
2DM | 2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATE | A,B | 1S88 | 0.71 | |
ETY | 4-ethylphenol | A,B,C,D | 2RA6 | 0.7 | |
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 | |
4BR | 2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE | A | 1PE7 | 0.71 | |
BPZ | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.76 | |
BR3 | (6-METHYL-3,4-DIHYDRO-2H-CHROMEN- 2-YL)METHYLPHOSPHINATE | A | 1PE5 | 0.71 | |
EZT | (17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA- 1(10),2,4-TRIENE-3,17-DIOL | A,B | 2P15 | 0.71 | |
219 | CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE | A | 1O4I | 0.73 | |
HXS | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.74 | |
2LP | 2-ALLYLPHENOL | A | 1OV5 | 0.72 | |
LJ1 | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.72 | |
SRL | [2-(3,5-DI-TERT-BUTYL-4-HYDROXY- PHENYL)-1-(DIETHOXY-PHOSPHORYL)- VINYL]-PHOSPHONIC ACID DIETHLYL ESTER | A | 1ILH | 0.74 | |
SRL | [2-(3,5-DI-TERT-BUTYL-4-HYDROXY- PHENYL)-1-(DIETHOXY-PHOSPHORYL)- VINYL]-PHOSPHONIC ACID DIETHLYL ESTER | A,B | 1NRL | 0.74 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.72 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.72 | |
EPT | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.71 | |
1OH | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.72 | |
BPM | 4-PHOSPHONOOXY-PHENYL-METHYL-[4- PHOSPHONOOXY]BENZEN | A | 1AAX | 0.83 |