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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

NameSCHEMBL342142
Molecular formulaC23H18ClN3O4S
IUPAC nameN-[4-chloro-2-(6-methylpyridine-2-carbonyl)phenyl]-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
Molecular weight467.924
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.1
SynonymsCHEMBL3719300
IPNYUSGRMDDAAM-UHFFFAOYSA-N
N-[4-Chloro-2-(6-methyl-pyridine-2-carbonyl)-phenyl]-4-(2-methyl-oxazol-5-yl)-benzenesulfonamide
Inchi KeyIPNYUSGRMDDAAM-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H18ClN3O4S/c1-14-4-3-5-21(26-14)23(28)19-12-17(24)8-11-20(19)27-32(29,30)18-9-6-16(7-10-18)22-13-25-15(2)31-22/h3-13,27H,1-2H3
PubChem CID20827699
ChEMBLCHEMBL3719300
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50<1000.0 nMNoneChEMBL
IC501000.0 nMNoneChEMBL

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