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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

NameCHEMBL3797948
Molecular formulaC24H22ClN3O5S
IUPAC name4-tert-butyl-N-[7-chloro-2-(6-methoxypyridin-3-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide
Molecular weight499.966
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.1
SynonymsSCHEMBL16862980
Inchi KeyFDNHELFSRJUTAS-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H22ClN3O5S/c1-24(2,3)14-5-8-16(9-6-14)34(31,32)27-18-11-10-17(25)20-21(18)23(30)28(22(20)29)15-7-12-19(33-4)26-13-15/h5-13,27H,1-4H3
PubChem CID118197461
ChEMBLCHEMBL3797948
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
Ki78.0 nMPMID26987013ChEMBL

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