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GPCR

NameC-X-C chemokine receptor type 6
SpeciesHomo sapiens (Human)
GeneCXCR6
SynonymBONZO
STRL33
G-protein coupled receptor STRL33
G-protein coupled receptor bonzo
CXCR6
[ Show all ]
DiseaseN/A
Length342
Amino acid sequenceMAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL
UniProtO00574
Protein Data BankN/A
GPCR-HGmod modelO00574
3D structure modelThis predicted structure model is from GPCR-EXP O00574.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5994
IUPHARN/A
DrugBankN/A

Ligand

Nameaz599
Molecular formulaC25H35N3O4S
IUPAC name[5-ethylsulfonyl-2-(oxan-4-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone
Molecular weight473.632
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.1
Synonyms910798-82-2
SCHEMBL3310279
CHEMBL1950351
ZINC43206729
BDBM50364920
[ Show all ]
Inchi KeyUCMNIYFDRVBMFV-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H35N3O4S/c1-3-33(30,31)28-23-5-4-19(25(29)26-11-6-18(2)7-12-26)16-21(23)22-17-27(13-8-24(22)28)20-9-14-32-15-10-20/h4-5,16,18,20H,3,6-15,17H2,1-2H3
PubChem CID24894028
ChEMBLCHEMBL1950351
IUPHARN/A
BindingDB50364920
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Activity>50.0 %PMID22284817ChEMBL

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