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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

NameSCHEMBL343855
Molecular formulaC23H23ClN2O3S2
IUPAC name4-tert-butyl-N-[4-chloro-2-(2-methylsulfanylpyridine-4-carbonyl)phenyl]benzenesulfonamide
Molecular weight475.018
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP6.4
SynonymsCHEMBL3719075
4-tert-Butyl-N-[4-chloro-2-(2-methylsulfanyl-pyridine4-carbonyl)-phenyl]-benzenesulfonamide
HXHMYYGSMXXGJS-UHFFFAOYSA-N
4-tert-Butyl-N-[4-chloro-2-(2-methylsulfanyl-pyridine-4-carbonyl)-phenyl]-benzenesulfonamide
Inchi KeyHXHMYYGSMXXGJS-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H23ClN2O3S2/c1-23(2,3)16-5-8-18(9-6-16)31(28,29)26-20-10-7-17(24)14-19(20)22(27)15-11-12-25-21(13-15)30-4/h5-14,26H,1-4H3
PubChem CID10096486
ChEMBLCHEMBL3719075
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50100.0 nMNoneChEMBL
IC50>1000.0 nMNoneChEMBL

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