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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

NameCHEMBL3800584
Molecular formulaC23H19ClFN3O4S
IUPAC name4-tert-butyl-N-[7-chloro-2-(4-fluoropyridin-2-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide
Molecular weight487.93
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.2
SynonymsSCHEMBL16871354
Inchi KeyCJMSBONDJBVSHR-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H19ClFN3O4S/c1-23(2,3)13-4-6-15(7-5-13)33(31,32)27-17-9-8-16(24)19-20(17)22(30)28(21(19)29)18-12-14(25)10-11-26-18/h4-12,27H,1-3H3
PubChem CID118204744
ChEMBLCHEMBL3800584
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
Ki22.0 nMPMID26987013ChEMBL

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