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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 | CHEMBL112760 |
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Molecular formula | C28H36BrN3O2 |
IUPAC name | [4-[4-[(E)-C-(4-bromophenyl)-N-methoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone |
Molecular weight | 526.519 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 0 |
XlogP | 6.0 |
Synonyms | [4-[4-[(E)-C-(4-bromophenyl)-N-methoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone 4-[alpha-[(Z)-Methoxyimino]-4-bromobenzyl]-4'-methyl-1'-(2,6-dimethylbenzoyl)-1,4'-bi(piperidine) BDBM50104929 Methanone, (4-bromophenyl)[1'-(2,6-dimethylbenzoyl)-4'-methyl[1,4'-bipiperidin]-4-yl]-, O-methyloxime, (E)- (E/Z)-{4-[(4-Bromo-phenyl)-methoxyimino-methyl]-4''-methyl-[1,4'']bipiperidinyl-1''-yl}-(2,6-dimethyl-phenyl)-methanone [ Show all ] |
Inchi Key | VCJCJIKWNXQAAJ-BXVZCJGGSA-N |
Inchi ID | InChI=1S/C28H36BrN3O2/c1-20-6-5-7-21(2)25(20)27(33)31-18-14-28(3,15-19-31)32-16-12-23(13-17-32)26(30-34-4)22-8-10-24(29)11-9-22/h5-11,23H,12-19H2,1-4H3/b30-26- |
PubChem CID | 5479845 |
ChEMBL | CHEMBL112760 |
IUPHAR | N/A |
BindingDB | 50104929 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 2.0 nM | PMID14521412 | BindingDB,ChEMBL |
Ki | 11.0 nM | PMID11585437 | BindingDB |
Ki | 25.0 nM | PMID11585437, PMID14521412 | BindingDB,ChEMBL |
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