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Name | C-C chemokine receptor type 5 |
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Species | Homo sapiens (Human) |
Gene | CCR5 |
Synonym | CD195 chemokine (C-C motif) receptor 5 (gene/pseudogene) CHEMR13 CCR5 CCR-5 [ Show all ] |
Disease | Human immunodeficiency virus infection |
Length | 352 |
Amino acid sequence | MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL |
UniProt | P51681 |
Protein Data Bank | 4mbs, 6aky, 6akx, 5uiw |
GPCR-HGmod model | P51681 |
3D structure model | This structure is from PDB ID 4mbs. |
BioLiP | BL0430746, BL0430745, BL0430742,BL0430744, BL0430741,BL0430743, BL0382816, BL0256313,BL0256315, BL0256312,BL0256314 |
Therapeutic Target Database | T72171 |
ChEMBL | CHEMBL274 |
IUPHAR | 62 |
DrugBank | BE0000911 |
Name | CHEMBL2180528 |
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Molecular formula | C23H27ClN2O2 |
IUPAC name | N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide |
Molecular weight | 398.931 |
Hydrogen bond acceptor | 2 |
Hydrogen bond donor | 1 |
XlogP | 5.0 |
Synonyms | TYQNFWIJWOXJPV-OAQYLSRUSA-N BDBM50399208 SCHEMBL2159606 (R)-N-(1-(4-(4-Chlorophenyl)piperidin-1-yl)-3-methyl-1-oxobutan-2-yl)benzamide |
Inchi Key | TYQNFWIJWOXJPV-OAQYLSRUSA-N |
Inchi ID | InChI=1S/C23H27ClN2O2/c1-16(2)21(25-22(27)19-6-4-3-5-7-19)23(28)26-14-12-18(13-15-26)17-8-10-20(24)11-9-17/h3-11,16,18,21H,12-15H2,1-2H3,(H,25,27)/t21-/m1/s1 |
PubChem CID | 24758044 |
ChEMBL | CHEMBL2180528 |
IUPHAR | N/A |
BindingDB | 50399208 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | <20000.0 nM | PMID23075267 | BindingDB,ChEMBL |
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