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Name | [125I]CGP71872 |
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Molecular formula | C24H31IN5O7P |
IUPAC name | 3-[(1R)-1-[[(2S)-3-[5-[(4-azido-2-hydroxy-5-(125I)iodanylbenzoyl)amino]pentyl-hydroxyphosphoryl]-2-hydroxypropyl]amino]ethyl]benzoic acid |
Molecular weight | 657.418 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 6 |
XlogP | 0.8 |
Synonyms | GTPL1077 CHEMBL1628548 [125I]CGP 71872 D0GK6Q |
Inchi Key | IHFUJPDKHJTHGQ-DQPKGEOYSA-N |
Inchi ID | InChI=1S/C24H31IN5O7P/c1-15(16-6-5-7-17(10-16)24(34)35)28-13-18(31)14-38(36,37)9-4-2-3-8-27-23(33)19-11-20(25)21(29-30-26)12-22(19)32/h5-7,10-12,15,18,28,31-32H,2-4,8-9,13-14H2,1H3,(H,27,33)(H,34,35)(H,36,37)/t15-,18+/m1/s1/i25-2 |
PubChem CID | 53323295 |
ChEMBL | N/A |
IUPHAR | 1077 |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
553951 | Gamma-aminobutyric acid type B receptor subunit 1 | Q9Z0U4 | Gabbr1 | Rattus norvegicus (Rat) | 991 |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417