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GPCR

Name	C-X-C chemokine receptor type 5
Species	Homo sapiens (Human)
Gene	CXCR5
Synonym	BLR-1 NLR neurolymphatic receptor Monocyte-derived receptor 15 MDR15 MDR-15 Gpcr6 CXCR5 CXCR-5 CXC-R5 CD185 Burkitt lymphoma receptor 1 [ 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

Ligand

Name	MLS000684823
Molecular formula	C18H14BrClN2O4
IUPAC name	methyl 1-(3-bromobenzoyl)-5-(4-chlorophenyl)-5-hydroxy-4H-pyrazole-3-carboxylate
Molecular weight	437.674
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.8
Synonyms	1-(3-bromobenzoyl)-5-(4-chlorophenyl)-5-hydroxy-2-pyrazoline-3-carboxylic acid methyl ester CHEMBL1406895 AC1MEU9O HMS3381P10 REGID_for_CID_2884240 CBMicro_044029 methyl 1-(3-bromophenyl)carbonyl-5-(4-chlorophenyl)-5-oxidanyl-4H-pyrazole-3-carboxylate SR-01000226722-1 1-[(3-bromophenyl)-oxomethyl]-5-(4-chlorophenyl)-5-hydroxy-4H-pyrazole-3-carboxylic acid methyl ester cid_2884240 MolPort-002-182-781 BDBM70948 methyl 1-(3-bromobenzoyl)-5-(4-chlorophenyl)-5-hydroxy-4,5-dihydro-1H-pyrazole-3-carboxylate SMR000268117 MLS-0289945.0001 HMS2595I15 Opera_ID_247 BIM-0044053.P001 methyl 1-(3-bromobenzoyl)-5-(4-chlorophenyl)-5-hydroxy-4H-pyrazole-3-carboxylate SR-01000226722 [ Show all ]
Inchi Key	SQBIDZGSWLVWJR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H14BrClN2O4/c1-26-17(24)15-10-18(25,12-5-7-14(20)8-6-12)22(21-15)16(23)11-3-2-4-13(19)9-11/h2-9,25H,10H2,1H3
PubChem CID	2884240
ChEMBL	CHEMBL1406895
IUPHAR	N/A
BindingDB	70948
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	12964.0 nM	PubChem BioAssay data set	ChEMBL

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