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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

NameCHEMBL3718112
Molecular formulaC23H23ClN2O4S
IUPAC name4-tert-butyl-N-[4-chloro-3-methoxy-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide
Molecular weight458.957
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.5
SynonymsSCHEMBL10249482
Inchi KeyALDQWYQFYBPDLD-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H23ClN2O4S/c1-23(2,3)16-5-7-17(8-6-16)31(28,29)26-19-10-9-18(24)22(30-4)20(19)21(27)15-11-13-25-14-12-15/h5-14,26H,1-4H3
PubChem CID20827705
ChEMBLCHEMBL3718112
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50100.0 nMNoneChEMBL
IC50>1000.0 nMNoneChEMBL

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