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Name | C-X-C chemokine receptor type 5 |
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Species | Homo sapiens (Human) |
Gene | CXCR5 |
Synonym | BLR-1 NLR neurolymphatic receptor Monocyte-derived receptor 15 MDR15 [ Show all ] |
Disease | Systemic lupus erythematosus |
Length | 372 |
Amino acid sequence | MNYPLTLEMDLENLEDLFWELDRLDNYNDTSLVENHLCPATEGPLMASFKAVFVPVAYSLIFLLGVIGNVLVLVILERHRQTRSSTETFLFHLAVADLLLVFILPFAVAEGSVGWVLGTFLCKTVIALHKVNFYCSSLLLACIAVDRYLAIVHAVHAYRHRRLLSIHITCGTIWLVGFLLALPEILFAKVSQGHHNNSLPRCTFSQENQAETHAWFTSRFLYHVAGFLLPMLVMGWCYVGVVHRLRQAQRRPQRQKAVRVAILVTSIFFLCWSPYHIVIFLDTLARLKAVDNTCKLNGSLPVAITMCEFLGLAHCCLNPMLYTFAGVKFRSDLSRLLTKLGCTGPASLCQLFPSWRRSSLSESENATSLTTF |
UniProt | P32302 |
Protein Data Bank | N/A |
GPCR-HGmod model | P32302 |
3D structure model | This predicted structure model is from GPCR-EXP P32302. |
BioLiP | N/A |
Therapeutic Target Database | T09528 |
ChEMBL | CHEMBL1075315 |
IUPHAR | N/A |
DrugBank | N/A |
Name | MLS001218739 |
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Molecular formula | C21H29N3O4 |
IUPAC name | ethyl 4-[1-(2-methylbenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylate |
Molecular weight | 387.48 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 0 |
XlogP | 1.7 |
Synonyms | BAS 05435078 MLS-0445335.0001 4-[1-(2-Methyl-benzoyl)-piperidine-4-carbonyl]-piperazine-1-carboxylic acid ethyl ester CHEMBL1700182 SMR000612162 [ Show all ] |
Inchi Key | TWYGQKIOVPITPN-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C21H29N3O4/c1-3-28-21(27)24-14-12-23(13-15-24)19(25)17-8-10-22(11-9-17)20(26)18-7-5-4-6-16(18)2/h4-7,17H,3,8-15H2,1-2H3 |
PubChem CID | 3152307 |
ChEMBL | CHEMBL1700182 |
IUPHAR | N/A |
BindingDB | 80050 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | <66000.0 nM | PubChem BioAssay data set | ChEMBL |
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