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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 | CHEMBL62152 |
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Molecular formula | C32H39N3O |
IUPAC name | (2,6-dimethylphenyl)-[4-methyl-4-[4-(N-phenylanilino)piperidin-1-yl]piperidin-1-yl]methanone |
Molecular weight | 481.684 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 0 |
XlogP | 6.8 |
Synonyms | [1,4'-Bipiperidin]-4-amine, 1'-(2,6-dimethylbenzoyl)-4'-methyl-N,N-diphenyl- (2,6-dimethylphenyl)(4-(4-(diphenylamino)piperidin-1-yl)-4-methylpiperidin-1-yl)methanone 1,4'-Bipiperidine, 1'-(2,6-dimethylbenzoyl)-4-(diphenylamino)-4'-methyl- DTXSID90388369 AC1MHP9P [ Show all ] |
Inchi Key | NCDCQNWXYJMYAZ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C32H39N3O/c1-25-11-10-12-26(2)30(25)31(36)33-23-19-32(3,20-24-33)34-21-17-29(18-22-34)35(27-13-6-4-7-14-27)28-15-8-5-9-16-28/h4-16,29H,17-24H2,1-3H3 |
PubChem CID | 3008917 |
ChEMBL | CHEMBL62152 |
IUPHAR | N/A |
BindingDB | 50143736 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 0.7 nM | PMID15055994 | BindingDB,ChEMBL |
IC50 | 2.6 nM | PMID18267361, PMID15055994 | BindingDB,ChEMBL |
IC50 | 14.4 nM | PMID15055994 | BindingDB,ChEMBL |
IC50 | 15.3 nM | PMID15055994 | BindingDB,ChEMBL |
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