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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

NameSCHEMBL343209
Molecular formulaC21H18ClN3O3S
IUPAC name4-(azetidin-1-yl)-N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide
Molecular weight427.903
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.2
SynonymsCHEMBL3717185
ANENPIZAGBLSEU-UHFFFAOYSA-N
4-Azetidin-1-yl-N-[4-chloro-2-(pyridine-4-carbonyl)-phenyl]-benzenesulfonamide
Inchi KeyANENPIZAGBLSEU-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H18ClN3O3S/c22-16-2-7-20(19(14-16)21(26)15-8-10-23-11-9-15)24-29(27,28)18-5-3-17(4-6-18)25-12-1-13-25/h2-11,14,24H,1,12-13H2
PubChem CID59788572
ChEMBLCHEMBL3717185
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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