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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 | SCHEMBL6012808 |
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Molecular formula | C23H35N3O2 |
IUPAC name | 9-benzyl-1-butyl-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione |
Molecular weight | 385.552 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 3.7 |
Synonyms | BDBM50190522 (RS)-9-benzyl-1-butyl-3-isobutyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride CHEMBL1196504 1,4,9-Triazaspiro[5.5]undecane-2,5-dione, 1-butyl-3-(2-methylpropyl)-9-(phenylmethyl)- 9-benzyl-1-butyl-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]-undeca-2,5-dione hydrochloride [ Show all ] |
Inchi Key | APZAJCZLYILDDW-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H35N3O2/c1-4-5-13-26-21(27)20(16-18(2)3)24-22(28)23(26)11-14-25(15-12-23)17-19-9-7-6-8-10-19/h6-10,18,20H,4-5,11-17H2,1-3H3,(H,24,28) |
PubChem CID | 10159218 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50190522 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 560.0 nM | PMID16821774 | BindingDB |
IC50 | 900.0 nM | PMID20542438, PMID16821774, PMID20005712 | BindingDB |
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