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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

NameSCHEMBL343392
Molecular formulaC23H18ClN3O4S
IUPAC nameN-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzenesulfonamide
Molecular weight467.924
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.8
SynonymsCHEMBL3717495
CFCVYMWGFHGGRF-UHFFFAOYSA-N
N-[4-Chloro-2-(pyridine-4-carbonyl)-phenyl]-4-(3,5-dimethyl-isoxazol-4-yl)-benzenesulfonamide
Inchi KeyCFCVYMWGFHGGRF-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H18ClN3O4S/c1-14-22(15(2)31-26-14)16-3-6-19(7-4-16)32(29,30)27-21-8-5-18(24)13-20(21)23(28)17-9-11-25-12-10-17/h3-13,27H,1-2H3
PubChem CID59788651
ChEMBLCHEMBL3717495
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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