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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

NameSCHEMBL344423
Molecular formulaC23H21ClN2O6S
IUPAC namemethyl 3-[4-[[4-chloro-2-(6-methyl-1-oxidopyridin-1-ium-3-carbonyl)phenyl]sulfamoyl]phenyl]propanoate
Molecular weight488.939
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.4
SynonymsCHEMBL3715269
Inchi KeyJBOCAVWGWXRRSG-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H21ClN2O6S/c1-15-3-7-17(14-26(15)29)23(28)20-13-18(24)8-11-21(20)25-33(30,31)19-9-4-16(5-10-19)6-12-22(27)32-2/h3-5,7-11,13-14,25H,6,12H2,1-2H3
PubChem CID10074256
ChEMBLCHEMBL3715269
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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