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Name | C-C chemokine receptor-like 2 |
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Species | Homo sapiens (Human) |
Gene | CCRL2 |
Synonym | ACR5 CRAM-B CRAM-A CKRX Chemokine receptor X [ Show all ] |
Disease | N/A |
Length | 344 |
Amino acid sequence | MANYTLAPEDEYDVLIEGELESDEAEQCDKYDAQALSAQLVPSLCSAVFVIGVLDNLLVVLILVKYKGLKRVENIYLLNLAVSNLCFLLTLPFWAHAGGDPMCKILIGLYFVGLYSETFFNCLLTVQRYLVFLHKGNFFSARRRVPCGIITSVLAWVTAILATLPEFVVYKPQMEDQKYKCAFSRTPFLPADETFWKHFLTLKMNISVLVLPLFIFTFLYVQMRKTLRFREQRYSLFKLVFAIMVVFLLMWAPYNIAFFLSTFKEHFSLSDCKSSYNLDKSVHITKLIATTHCCINPLLYAFLDGTFSKYLCRCFHLRSNTPLQPRGQSAQGTSREEPDHSTEV |
UniProt | O00421 |
Protein Data Bank | N/A |
GPCR-HGmod model | O00421 |
3D structure model | This predicted structure model is from GPCR-EXP O00421. |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL2321627 |
IUPHAR | N/A |
DrugBank | N/A |
Name | CHEMBL2315932 |
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Molecular formula | C25H27F3N6O2 |
IUPAC name | N-[1-[4-(5-hydroxypyridin-2-yl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide |
Molecular weight | 500.526 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 3 |
XlogP | 3.6 |
Synonyms | HCMNHKKXBRMTLE-UHFFFAOYSA-N BDBM163440 US9062048, 67 N-(1-(4-(5-hydroxypyridin-2-yl)cyclohexyl)azetidin-3-yl)-2-((6-(trifluoromethyl)quinazolin-4-yl)amino)acetamide BDBM50425695 [ Show all ] |
Inchi Key | HCMNHKKXBRMTLE-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C25H27F3N6O2/c26-25(27,28)16-3-7-22-20(9-16)24(32-14-31-22)30-11-23(36)33-17-12-34(13-17)18-4-1-15(2-5-18)21-8-6-19(35)10-29-21/h3,6-10,14-15,17-18,35H,1-2,4-5,11-13H2,(H,33,36)(H,30,31,32) |
PubChem CID | 54772204 |
ChEMBL | CHEMBL3704084 |
IUPHAR | N/A |
BindingDB | 163440 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 6.0 nM | , None | BindingDB,ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417