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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

NameSCHEMBL344207
Molecular formulaC19H15BrN2O4S
IUPAC nameN-[4-bromo-2-(pyridine-4-carbonyl)phenyl]-4-methoxybenzenesulfonamide
Molecular weight447.303
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.9
SynonymsN-[4-Bromo-2-(pyridine-4-carbonyl)-phenyl]-4-methoxy-benzenesulfonamide
CHEMBL3719297
N-[4-Bromo-2-(pyridine-4-carbonyl)-phenyl]4-methoxy-benzenesulfonamide
GFCASFOMTBNPEX-UHFFFAOYSA-N
Inchi KeyGFCASFOMTBNPEX-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H15BrN2O4S/c1-26-15-3-5-16(6-4-15)27(24,25)22-18-7-2-14(20)12-17(18)19(23)13-8-10-21-11-9-13/h2-12,22H,1H3
PubChem CID10049261
ChEMBLCHEMBL3719297
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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