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Name | C-C chemokine receptor type 5 |
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Species | Macaca fascicularis (Crab-eating macaque) |
Gene | CCR5 |
Synonym | C-C CKR-5 CC-CKR-5 CCR-5 CCR5 |
Disease | N/A for non-human GPCRs |
Length | 352 |
Amino acid sequence | MDYQVSSPTYDIDYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNILVVLILINCKRLKSMTDIYLLNLAISDLLFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQREGLHYTCSSHFPYSQYQFWKNFQTLKMVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL |
UniProt | P61814 |
Protein Data Bank | N/A |
GPCR-HGmod model | N/A |
3D structure model | No available structures or models |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL1075263 |
IUPHAR | N/A |
DrugBank | N/A |
Name | CHEMBL58004 |
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Molecular formula | C30H37N5O2 |
IUPAC name | (4,6-dimethyl-1-oxidopyrimidin-1-ium-5-yl)-[4-methyl-4-[4-(N-phenylanilino)piperidin-1-yl]piperidin-1-yl]methanone |
Molecular weight | 499.659 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 0 |
XlogP | 4.2 |
Synonyms | BDBM50143741 (4,6-dimethyl-1-oxido-pyrimidin-1-ium-5-yl)-[4-methyl-4-[4-(N-phenylanilino)-1-piperidyl]-1-piperidyl]methanone [1,4'-Bipiperidin]-4-amine, 1'-[(4,6-dimethyl-1-oxido-5-pyrimidinyl)carbonyl]-4'-methyl-N,N-diphenyl- (4,6-dimethyl-1-oxidopyrimidin-1-ium-5-yl)-[4-methyl-4-[4-(N-phenylanilino)piperidin-1-yl]piperidin-1-yl]methanone AC1MHPAQ [ Show all ] |
Inchi Key | AZSCGFLVNBRMKE-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C30H37N5O2/c1-23-28(24(2)34(37)22-31-23)29(36)32-20-16-30(3,17-21-32)33-18-14-27(15-19-33)35(25-10-6-4-7-11-25)26-12-8-5-9-13-26/h4-13,22,27H,14-21H2,1-3H3 |
PubChem CID | 3008930 |
ChEMBL | CHEMBL58004 |
IUPHAR | N/A |
BindingDB | 50143741 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 12.0 nM | PMID18267361 | BindingDB,ChEMBL |
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