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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

NameCHEMBL3797572
Molecular formulaC23H20ClN3O4S
IUPAC name4-tert-butyl-N-(7-chloro-1,3-dioxo-2-pyridin-4-ylisoindol-4-yl)benzenesulfonamide
Molecular weight469.94
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.8
SynonymsSCHEMBL16871501
Inchi KeyIVKPTGYGUITHDA-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H20ClN3O4S/c1-23(2,3)14-4-6-16(7-5-14)32(30,31)26-18-9-8-17(24)19-20(18)22(29)27(21(19)28)15-10-12-25-13-11-15/h4-13,26H,1-3H3
PubChem CID118204881
ChEMBLCHEMBL3797572
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
Ki11.0 nMPMID26987013ChEMBL

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