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Name | CHEMBL2349305 |
---|---|
Molecular formula | C18H21N5O2S2 |
IUPAC name | (2R)-2-[(2-amino-5-benzylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]-4-methylpentanoic acid |
Molecular weight | 403.519 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 3 |
XlogP | 4.6 |
Synonyms | BDBM50432453 |
Inchi Key | JGZWLGNFSYAFSU-GFCCVEGCSA-N |
Inchi ID | InChI=1S/C18H21N5O2S2/c1-10(2)8-12(16(24)25)20-14-13-15(21-17(19)27-13)23-18(22-14)26-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,24,25)(H3,19,20,21,22,23)/t12-/m1/s1 |
PubChem CID | 71625022 |
ChEMBL | CHEMBL2349305 |
IUPHAR | N/A |
BindingDB | 50432453 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
150777 | C-X-C chemokine receptor type 2 | P25025 | CXCR2 | Homo sapiens (Human) | 360 |
150778 | CX3C chemokine receptor 1 | P49238 | CX3CR1 | Homo sapiens (Human) | 355 |
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