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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

NameCHEMBL3814577
Molecular formulaC22H19ClN2O3
IUPAC name6-chloro-1-[[4-[2-(1,3-oxazol-2-yl)propan-2-yl]phenyl]methyl]indole-2-carboxylic acid
Molecular weight394.855
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.3
SynonymsBDBM50178943
Inchi KeyBZGPDKQUBJLQOZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H19ClN2O3/c1-22(2,21-24-9-10-28-21)16-6-3-14(4-7-16)13-25-18-12-17(23)8-5-15(18)11-19(25)20(26)27/h3-12H,13H2,1-2H3,(H,26,27)
PubChem CID127053024
ChEMBLCHEMBL3814577
IUPHARN/A
BindingDB50178943
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50207.0 nMPMID27256913BindingDB,ChEMBL

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