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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

NameSCHEMBL343905
Molecular formulaC23H21ClN2O5S
IUPAC namemethyl 3-[4-[[4-chloro-2-(2-methylpyridine-4-carbonyl)phenyl]sulfamoyl]phenyl]propanoate
Molecular weight472.94
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.4
SynonymsCHEMBL3718031
3-{4-[4-Chloro-2-(2-methyl-pyridine-4-carbonyl)-phenylsulfamoyl]-phenyl}-propionic acid methyl ester
GCWRCNRBFFLLGC-UHFFFAOYSA-N
Inchi KeyGCWRCNRBFFLLGC-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H21ClN2O5S/c1-15-13-17(11-12-25-15)23(28)20-14-18(24)6-9-21(20)26-32(29,30)19-7-3-16(4-8-19)5-10-22(27)31-2/h3-4,6-9,11-14,26H,5,10H2,1-2H3
PubChem CID10322608
ChEMBLCHEMBL3718031
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

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