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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

NameSCHEMBL344830
Molecular formulaC23H21ClFN3O4S
IUPAC nameN-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]-3-fluoro-4-morpholin-4-ylbenzenesulfonamide
Molecular weight489.946
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP4.1
SynonymsAAHZBAYAPUITFQ-UHFFFAOYSA-N
N-[4-Chloro-2-(6-methyl-pyridine-3-carbonyl)-phenyl]-3-fluoro-4-morpholin-4-yl-benzenesulfonamide
CHEMBL3715712
Inchi KeyAAHZBAYAPUITFQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H21ClFN3O4S/c1-15-2-3-16(14-26-15)23(29)19-12-17(24)4-6-21(19)27-33(30,31)18-5-7-22(20(25)13-18)28-8-10-32-11-9-28/h2-7,12-14,27H,8-11H2,1H3
PubChem CID11191026
ChEMBLCHEMBL3715712
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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