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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 | CHEMBL556314 |
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Molecular formula | C31H38N4O2 |
IUPAC name | (2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)-[4-methyl-4-[4-(N-phenylanilino)piperidin-1-yl]piperidin-1-yl]methanone |
Molecular weight | 498.671 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 0 |
XlogP | 4.8 |
Synonyms | (2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)-[4-methyl-4-[4-(N-phenylanilino)piperidin-1-yl]piperidin-1-yl]methanone AC1MHPAN (2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4-diphenylamino-4''-methyl-[1,4'']bipiperidinyl-1''-yl)-methanone BDBM50143750 [1,4'-Bipiperidin]-4-amine, 1'-[(2,4-dimethyl-1-oxido-3-pyridinyl)carbonyl]-4'-methyl-N,N-diphenyl- [ Show all ] |
Inchi Key | KFDHCUNXEPNTLZ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C31H38N4O2/c1-24-14-21-34(37)25(2)29(24)30(36)32-22-17-31(3,18-23-32)33-19-15-28(16-20-33)35(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-14,21,28H,15-20,22-23H2,1-3H3 |
PubChem CID | 3008929 |
ChEMBL | CHEMBL556314 |
IUPHAR | N/A |
BindingDB | 50143750 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 3.3 nM | PMID18267361, PMID15055994 | BindingDB,ChEMBL |
IC50 | 3.4 nM | PMID15055994 | BindingDB,ChEMBL |
IC50 | 16.0 nM | PMID15055994 | BindingDB,ChEMBL |
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