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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

NameSCHEMBL27344
Molecular formulaC20H17ClN2O3S
IUPAC nameN-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-ethylbenzenesulfonamide
Molecular weight400.877
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.7
SynonymsN-[4-chloro-2-(pyridine-4-carbonyl)-phenyl]-4-ethyl-benzenesulfonamide
CHEMBL3719056
FSPDQZIBXCZBTA-UHFFFAOYSA-N
Inchi KeyFSPDQZIBXCZBTA-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H17ClN2O3S/c1-2-14-3-6-17(7-4-14)27(25,26)23-19-8-5-16(21)13-18(19)20(24)15-9-11-22-12-10-15/h3-13,23H,2H2,1H3
PubChem CID10431143
ChEMBLCHEMBL3719056
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>100.0 nMNoneChEMBL
IC50>1000.0 nMNoneChEMBL

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