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GPCR

NameC-C chemokine receptor type 6
SpeciesHomo sapiens (Human)
GeneCCR6
SynonymDRY6
G-protein coupled receptor 29
GPR-CY4
GPR29
GPRCY4
[ Show all ]
DiseaseN/A
Length374
Amino acid sequenceMSGESMNFSDVFDSSEDYFVSVNTSYYSVDSEMLLCSLQEVRQFSRLFVPIAYSLICVFGLLGNILVVITFAFYKKARSMTDVYLLNMAIADILFVLTLPFWAVSHATGAWVFSNATCKLLKGIYAINFNCGMLLLTCISMDRYIAIVQATKSFRLRSRTLPRSKIICLVVWGLSVIISSSTFVFNQKYNTQGSDVCEPKYQTVSEPIRWKLLMLGLELLFGFFIPLMFMIFCYTFIVKTLVQAQNSKRHKAIRVIIAVVLVFLACQIPHNMVLLVTAANLGKMNRSCQSEKLIGYTKTVTEVLAFLHCCLNPVLYAFIGQKFRNYFLKILKDLWCVRRKYKSSGFSCAGRYSENISRQTSETADNDNASSFTM
UniProtP51684
Protein Data BankN/A
GPCR-HGmod modelP51684
3D structure modelThis predicted structure model is from GPCR-EXP P51684.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4423
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL3188149
Molecular formulaC27H35N3O6
IUPAC name3,4,5-trimethoxy-N-[9-[2-(2-methoxyanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
Molecular weight497.592
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.6
SynonymsMLS-0472138.0001
Inchi KeyCTHJPSUBSCTMHA-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H35N3O6/c1-33-22-11-6-5-10-21(22)29-25(31)16-30-19-8-7-9-20(30)15-18(14-19)28-27(32)17-12-23(34-2)26(36-4)24(13-17)35-3/h5-6,10-13,18-20H,7-9,14-16H2,1-4H3,(H,28,32)(H,29,31)
PubChem CID60202261
ChEMBLCHEMBL3188149
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<79000.0 nMPubChem BioAssay data setChEMBL

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