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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

NameSCHEMBL343980
Molecular formulaC22H19ClFN3O4S
IUPAC nameN-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-3-fluoro-4-morpholin-4-ylbenzenesulfonamide
Molecular weight475.919
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.7
SynonymsCHEMBL3719182
Inchi KeyAUCCSTCHDWDFTJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H19ClFN3O4S/c23-16-1-3-20(18(13-16)22(28)15-5-7-25-8-6-15)26-32(29,30)17-2-4-21(19(24)14-17)27-9-11-31-12-10-27/h1-8,13-14,26H,9-12H2
PubChem CID59788652
ChEMBLCHEMBL3719182
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
IC50>1000.0 nMNoneChEMBL

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