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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

NameSCHEMBL344604
Molecular formulaC23H21ClN2O5S
IUPAC namemethyl 3-[4-[[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]sulfamoyl]phenyl]propanoate
Molecular weight472.94
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.4
Synonyms3{4-[4-Chloro-2-(6-methyl-pyridine-3-carbonyl)-phenylsulfamoyl]-phenyl}-propionic acid methyl ester
DSTYIYJVFNISRX-UHFFFAOYSA-N
3-{4-[4-Chloro-2(6-methyl-pyridine-3-carbonyl)-phenylsulfamoyl]-phenyl}-propionic acid methyl ester
3-{4-[4-Chloro-2-(6-methyl-pyridine-3-carbonyl)-phenylsulfamoyl]-phenyl}-propionic acid methyl ester
CHEMBL3719064
Inchi KeyDSTYIYJVFNISRX-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H21ClN2O5S/c1-15-3-7-17(14-25-15)23(28)20-13-18(24)8-11-21(20)26-32(29,30)19-9-4-16(5-10-19)6-12-22(27)31-2/h3-5,7-11,13-14,26H,6,12H2,1-2H3
PubChem CID10322607
ChEMBLCHEMBL3719064
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
IC50100.0 nMNoneChEMBL
IC50>1000.0 nMNoneChEMBL

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