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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

NameSCHEMBL2167918
Molecular formulaC22H19ClN2O5S
IUPAC namemethyl 3-[4-[[4-chloro-2-(pyridine-4-carbonyl)phenyl]sulfamoyl]phenyl]propanoate
Molecular weight458.913
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.0
SynonymsCHEMBL3718771
Inchi KeyIOTIUSJITLYMIW-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H19ClN2O5S/c1-30-21(26)9-4-15-2-6-18(7-3-15)31(28,29)25-20-8-5-17(23)14-19(20)22(27)16-10-12-24-13-11-16/h2-3,5-8,10-14,25H,4,9H2,1H3
PubChem CID20827660
ChEMBLCHEMBL3718771
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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