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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

NameSCHEMBL343732
Molecular formulaC22H15ClN4O3S
IUPAC nameN-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-pyrimidin-5-ylbenzenesulfonamide
Molecular weight450.897
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.8
SynonymsN-[4-Chloro-2-(pyridine-4-carbonyl)-phenyl]-4-pyrimidin-5-yl-benzenesulfonamide
CHEMBL3717408
DDLGMNHNYBYZNA-UHFFFAOYSA-N
Inchi KeyDDLGMNHNYBYZNA-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H15ClN4O3S/c23-18-3-6-21(20(11-18)22(28)16-7-9-24-10-8-16)27-31(29,30)19-4-1-15(2-5-19)17-12-25-14-26-13-17/h1-14,27H
PubChem CID59788720
ChEMBLCHEMBL3717408
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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