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Name | C-C chemokine receptor type 5 |
---|---|
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 | NIBR-1282 |
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Molecular formula | C30H37N5O2 |
IUPAC name | (2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)-[4-methyl-4-[4-(N-pyridin-3-ylanilino)piperidin-1-yl]piperidin-1-yl]methanone |
Molecular weight | 499.659 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 0 |
XlogP | 3.7 |
Synonyms | CHEMBL255858 470689-87-3 GT-1282 CCR5 antagonists, Novartis SCHEMBL619811 [ Show all ] |
Inchi Key | DDVVRHNNOPQPGB-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C30H37N5O2/c1-23-11-19-34(37)24(2)28(23)29(36)32-20-14-30(3,15-21-32)33-17-12-26(13-18-33)35(25-8-5-4-6-9-25)27-10-7-16-31-22-27/h4-11,16,19,22,26H,12-15,17-18,20-21H2,1-3H3 |
PubChem CID | 10278617 |
ChEMBL | CHEMBL255858 |
IUPHAR | N/A |
BindingDB | 50234723 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 8.1 nM | PMID18267361 | BindingDB,ChEMBL |
IC50 | 64.0 nM | PMID18267361 | BindingDB,ChEMBL |
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