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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

NameCHEMBL3091687
Molecular formulaC23H32N4
IUPAC nameN'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine
Molecular weight364.537
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.4
SynonymsSCHEMBL16541326
BDBM50443541
GTPL9882
TIQ-15
N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine
Inchi KeyMYCKNKHATQGHEV-YADHBBJMSA-N
Inchi IDInChI=1S/C23H32N4/c24-12-3-4-14-27(22-11-5-9-18-10-6-13-25-23(18)22)17-21-15-19-7-1-2-8-20(19)16-26-21/h1-2,6-8,10,13,21-22,26H,3-5,9,11-12,14-17,24H2/t21-,22+/m1/s1
PubChem CID57345320
ChEMBLCHEMBL3091687
IUPHAR9882
BindingDB50443541
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition>10.0 %PMID24936240ChEMBL

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