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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

NameCHEMBL3814598
Molecular formulaC19H19ClN2O2
IUPAC name1-[(6-tert-butylpyridin-3-yl)methyl]-7-chloroindole-2-carboxylic acid
Molecular weight342.823
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.7
SynonymsBDBM50178718
Inchi KeyCNMCGHJNYYCEPN-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H19ClN2O2/c1-19(2,3)16-8-7-12(10-21-16)11-22-15(18(23)24)9-13-5-4-6-14(20)17(13)22/h4-10H,11H2,1-3H3,(H,23,24)
PubChem CID127049674
ChEMBLCHEMBL3814598
IUPHARN/A
BindingDB50178718
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC50451.0 nMPMID27256913BindingDB,ChEMBL

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