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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 | PharmaGSID_48521 |
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Molecular formula | C31H49N5O4 |
IUPAC name | (5S)-5-butyl-9-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]-3-(oxan-4-ylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one |
Molecular weight | 555.764 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 0 |
XlogP | 4.1 |
Synonyms | DTXSID8048521 SCHEMBL18841093 (S)-5-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl)-3-((tetrahydro-2H-pyran-4-yl)methyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one DSSTox_GSID_48521 BDBM50310739 [ Show all ] |
Inchi Key | CXXVJZRGOOIVOD-SANMLTNESA-N |
Inchi ID | InChI=1S/C31H49N5O4/c1-5-6-7-26-21-35(20-25-8-18-39-19-9-25)29(38)40-31(26)12-16-36(17-13-31)30(4)10-14-34(15-11-30)28(37)27-23(2)32-22-33-24(27)3/h22,25-26H,5-21H2,1-4H3/t26-/m0/s1 |
PubChem CID | 44555481 |
ChEMBL | CHEMBL1078231 |
IUPHAR | N/A |
BindingDB | 50310739 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 4.0 nM | PMID20176481 | BindingDB,ChEMBL |
IC50 | 25.0 nM | PMID19674898 | BindingDB,ChEMBL |
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