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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

NameSCHEMBL343741
Molecular formulaC22H16ClN3O4S
IUPAC nameN-[4-chloro-2-(2-methylpyridine-4-carbonyl)phenyl]-4-(1,3-oxazol-5-yl)benzenesulfonamide
Molecular weight453.897
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.4
SynonymsN-[4-Chloro-2-(2-methyl-pyridine-4-carbonyl)-phenyl]-4-oxazol-5-yl-benzenesulfonamide
CHEMBL3718207
N-[4-Chloro-2-(2-methyl-pyridine-4-carbonyl)phenyl]-4-oxazol-5-yl-benzenesulfonamide
HVZHPEYTMAOZRT-UHFFFAOYSA-N
N-[4-Chloro-2-(2-methyl-pyridine4-carbonyl)-phenyl]-4-oxazol-5-yl-benzenesulfonamide
Inchi KeyHVZHPEYTMAOZRT-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H16ClN3O4S/c1-14-10-16(8-9-25-14)22(27)19-11-17(23)4-7-20(19)26-31(28,29)18-5-2-15(3-6-18)21-12-24-13-30-21/h2-13,26H,1H3
PubChem CID10321702
ChEMBLCHEMBL3718207
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>100.0 nMNoneChEMBL
IC50>1000.0 nMNoneChEMBL

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