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GPCR

NameC-C chemokine receptor type 9
SpeciesHomo sapiens (Human)
GeneCCR9
SynonymCC-CKR-9
GPR28
GPR-9-6
GPR 9-6
G-protein coupled receptor 28
[ Show all ]
DiseaseCrohn's disease
Sjogren's syndrome
Length369
Amino acid sequenceMTPTDFTSPIPNMADDYGSESTSSMEDYVNFNFTDFYCEKNNVRQFASHFLPPLYWLVFIVGALGNSLVILVYWYCTRVKTMTDMFLLNLAIADLLFLVTLPFWAIAAADQWKFQTFMCKVVNSMYKMNFYSCVLLIMCISVDRYIAIAQAMRAHTWREKRLLYSKMVCFTIWVLAAALCIPEILYSQIKEESGIAICTMVYPSDESTKLKSAVLTLKVILGFFLPFVVMACCYTIIIHTLIQAKKSSKHKALKVTITVLTVFVLSQFPYNCILLVQTIDAYAMFISNCAVSTNIDICFQVTQTIAFFHSCLNPVLYVFVGERFRRDLVKTLKNLGCISQAQWVSFTRREGSLKLSSMLLETTSGALSL
UniProtP51686
Protein Data Bank5lwe
GPCR-HGmod modelP51686
3D structure modelThis structure is from PDB ID 5lwe.
BioLiPBL0364069,BL0364071, BL0364070
Therapeutic Target DatabaseT97873
ChEMBLCHEMBL5815
IUPHAR66
DrugBankN/A

Ligand

NameSCHEMBL343808
Molecular formulaC25H25ClN2O4S
IUPAC nameN-[4-chloro-2-(6-methylpyridine-2-carbonyl)phenyl]-4-(4-methyloxan-4-yl)benzenesulfonamide
Molecular weight484.995
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.6
SynonymsCHEMBL3718996
DEJQEPBWGLUZJS-UHFFFAOYSA-N
N-[4-Chloro-2-(6-methyl-pyridine-2-carbonyl)-phenyl]-4-(4-methyl-tetrahydro-pyran-4-yl)-benzenesulfonamide
Inchi KeyDEJQEPBWGLUZJS-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H25ClN2O4S/c1-17-4-3-5-23(27-17)24(29)21-16-19(26)8-11-22(21)28-33(30,31)20-9-6-18(7-10-20)25(2)12-14-32-15-13-25/h3-11,16,28H,12-15H2,1-2H3
PubChem CID59788697
ChEMBLCHEMBL3718996
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50>1000.0 nMNoneChEMBL

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