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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

NameSCHEMBL344097
Molecular formulaC24H23ClN2O4S
IUPAC nameN-[4-chloro-2-(pyridine-3-carbonyl)phenyl]-4-(4-methyloxan-4-yl)benzenesulfonamide
Molecular weight470.968
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.8
SynonymsIURAIAJMBHUDBN-UHFFFAOYSA-N
N-[4-Chloro-2-(pyridine-3-carbonyl)-phenyl]-4-(4-methyl-tetrahydro-pyran-4-yl)-benzenesulfonamide
CHEMBL3714829
Inchi KeyIURAIAJMBHUDBN-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H23ClN2O4S/c1-24(10-13-31-14-11-24)18-4-7-20(8-5-18)32(29,30)27-22-9-6-19(25)15-21(22)23(28)17-3-2-12-26-16-17/h2-9,12,15-16,27H,10-11,13-14H2,1H3
PubChem CID11155651
ChEMBLCHEMBL3714829
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>1000.0 nMNoneChEMBL

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