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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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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

NameSCHEMBL343292
Molecular formulaC20H13ClN4O4S
IUPAC nameN-[4-chloro-2-(pyrimidine-4-carbonyl)phenyl]-4-(1,3-oxazol-5-yl)benzenesulfonamide
Molecular weight440.858
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.7
SynonymsN-[4-chloro-2-(pyrimidine-4-carbonyl)-phenyl]-4-oxazol-5-yl-benzenesulfonamide
CHEMBL3715134
N-[4-chloro-2-(pyrimidine-4-carbonyl)-phenyl]4-oxazol-5-yl-benzenesulfonamide
GAOKHIDHUOBEGG-UHFFFAOYSA-N
Inchi KeyGAOKHIDHUOBEGG-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H13ClN4O4S/c21-14-3-6-17(16(9-14)20(26)18-7-8-22-11-24-18)25-30(27,28)15-4-1-13(2-5-15)19-10-23-12-29-19/h1-12,25H
PubChem CID10343213
ChEMBLCHEMBL3715134
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<1000.0 nMNoneChEMBL
IC501000.0 nMNoneChEMBL

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