Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03247926
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 |
OBP | A,B | 2DE3 | 0.75 | ||
TON | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL | A,B | 1SEZ | 0.74 | |
DR6 | ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]- OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL) | C,I,T | 1YTZ | 0.71 | |
AZ2 | (2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID | A,B | 1I7I | 0.72 | |
AZ2 | (2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID | A | 1I7G | 0.72 | |
W29 | 4-(3-ethylthiophen-2-yl)benzene- 1,2-diol | A | 3D27 | 0.7 | |
8MR | (3R)-4,4-DIFLUORO-3-[(4-METHOXYPHENYL)SULFONYL]BUTANOIC ACID | A,B | 2OW2 | 0.71 | |
294 | N-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro- 2H-pyran-4-carboxamide | A,B | 3B8Z | 0.73 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.73 | |
DES | DIETHYLSTILBESTROL | A,B | 3ERD | 0.73 | |
DES | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.73 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.73 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.71 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.71 | |
178 | 4-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)- 2-ISOPROPYLPHENOL | A,B | 1TVE | 0.78 | |
TF5 | 2-[(2',3',4'-TRIFLUOROBIPHENYL- 2-YL)OXY]ETHANOL | A,B | 2OP3 | 0.72 | |
ZTW | RALOXIFENE CORE | A,B | 1GWQ | 0.7 | |
ZHH | 2-(4-METHOXYPHENYL)ETHANAMINE | D,H | 2HKR | 0.71 | |
440 | 3-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane- 1-thiol | A | 3B92 | 0.76 | |
TRT | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.75 | |
TRT | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.75 | |
MSB | 1-METHYLOXY-4-SULFONE-BENZENE | A | 1EUB | 0.76 | |
MSB | 1-METHYLOXY-4-SULFONE-BENZENE | A | 1BM6 | 0.76 | |
FIN | A | 1ZVX | 0.78 | ||
OHT | 4-HYDROXYTAMOXIFEN | A | 3ERT | 0.71 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B | 1S9Q | 0.71 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B | 1VJB | 0.71 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B,C,P,R | 2JF9 | 0.71 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B,C,D,E,F | 2GPV | 0.71 | |
OHT | 4-HYDROXYTAMOXIFEN | A | 2GPU | 0.71 | |
OHT | 4-HYDROXYTAMOXIFEN | A | 2P7Z | 0.71 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B | 2BJ4 | 0.71 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B | 2FSZ | 0.71 | |
OXN | OXTOXYNOL-10 | A | 1IKT | 0.71 | |
OXN | OXTOXYNOL-10 | A,B | 2Q32 | 0.71 | |
OXN | OXTOXYNOL-10 | A,B | 1UEH | 0.71 | |
OXN | OXTOXYNOL-10 | A,B | 2D4Q | 0.71 | |
MBS | A,B | 1HY7 | 0.73 | ||
2C7 | 2-(cycloheptylmethyl)-1,1-dioxido- 1-benzothiophen-6-yl sulfamate | A | 3DD8 | 0.72 | |
STH | 2-AMINO-4H-1,3-BENZOXATHIIN-4-OL | A,B,C,D | 1XKL | 0.71 | |
YR3 | (2S)-3-{4-[1-ethyl-1-(4-{[(2R)- 2-hydroxy-3,3-dimethylbutyl]oxy}- 3-methylphenyl)propyl]-2-methylphenoxy}propane- 1,2-diol | A | 2ZFX | 0.72 | |
B65 | (1R)-4-(3-phenoxyphenyl)-1-phosphonobutane- 1-sulfonic acid | A | 2ZCQ | 0.76 | |
EIN | A | 1ZS0 | 0.78 | ||
81A | 2-METHANESULFONYL-BENZENESULFONIC ACID 3- METHYL-5-((1-AMIDINOAMINOOXYMETHYL- CYCLOPROPYL)METHYLOXY)-PHENYLESTER | H,I | 1T4U | 0.73 | |
4BR | 2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE | A | 1PE7 | 0.71 | |
HXS | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.72 | |
TAX | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINIUM | A | 1FJ5 | 0.7 | |
8PS | 5-OCTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B37 | 0.73 | |
LJ1 | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.7 | |
BR3 | (6-METHYL-3,4-DIHYDRO-2H-CHROMEN- 2-YL)METHYLPHOSPHINATE | A | 1PE5 | 0.71 | |
5PP | 5-PENTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B36 | 0.73 | |
AL9 | N-[(4-METHOXYPHENYL)METHYL]2,5- THIOPHENEDESULFONAMIDE | A | 1BN4 | 0.72 | |
CTX | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINE | A,B,C | 1YA4 | 0.73 | |
EGC | 2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3- TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}- ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)- ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL | A,B | 1JP3 | 0.71 | |
EGC | 2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3- TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}- ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)- ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL | A | 2W22 | 0.71 |