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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

NameCHEMBL3799395
Molecular formulaC25H24ClN3O4S
IUPAC name4-tert-butyl-N-[7-chloro-2-[(6-methylpyridin-3-yl)methyl]-1,3-dioxoisoindol-4-yl]benzenesulfonamide
Molecular weight497.994
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.1
SynonymsSCHEMBL16871320
Inchi KeyBSMGRUCQGKWSQY-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H24ClN3O4S/c1-15-5-6-16(13-27-15)14-29-23(30)21-19(26)11-12-20(22(21)24(29)31)28-34(32,33)18-9-7-17(8-10-18)25(2,3)4/h5-13,28H,14H2,1-4H3
PubChem CID118204712
ChEMBLCHEMBL3799395
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
Ki85.0 nMPMID26987013ChEMBL

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