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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

NameCHEMBL3717500
Molecular formulaC22H20ClN3O4S
IUPAC nameN-[4-chloro-2-(pyridine-3-carbonyl)phenyl]-4-morpholin-4-ylbenzenesulfonamide
Molecular weight457.929
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.6
SynonymsSCHEMBL10252783
Inchi KeyFXKGQIIPJLWRON-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H20ClN3O4S/c23-17-3-8-21(20(14-17)22(27)16-2-1-9-24-15-16)25-31(28,29)19-6-4-18(5-7-19)26-10-12-30-13-11-26/h1-9,14-15,25H,10-13H2
PubChem CID59788545
ChEMBLCHEMBL3717500
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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