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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

NameSCHEMBL343854
Molecular formulaC25H22ClN3O4S
IUPAC nameN-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]-4-[2-(1,3-oxazol-2-yl)propan-2-yl]benzenesulfonamide
Molecular weight495.978
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.5
SynonymsCHEMBL3716682
BEEBVQCHEBDNID-UHFFFAOYSA-N
N-[4-Chloro-2-(6-methyl-pyridine-3-carbonyl)-phenyl]-4-(1-methyl-1-oxazol-2-yl-ethyl)-benzenesulfonamide
Inchi KeyBEEBVQCHEBDNID-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H22ClN3O4S/c1-16-4-5-17(15-28-16)23(30)21-14-19(26)8-11-22(21)29-34(31,32)20-9-6-18(7-10-20)25(2,3)24-27-12-13-33-24/h4-15,29H,1-3H3
PubChem CID59788732
ChEMBLCHEMBL3716682
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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