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GPCR

NameAlpha-2C adrenergic receptor
SpeciesRattus norvegicus (Rat)
GeneAdra2c
Synonymalpha2-C4
adrenergic receptor
Alpha-2C adrenoceptor
Adrenergic alpha2C- receptor class I
alpha2C-adrenoceptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length458
Amino acid sequenceMASPALAAALAAAAAEGPNGSDAGEWGSGGGANASGTDWGPPPGQYSAGAVAGLAAVVGFLIVFTVVGNVLVVIAVLTSRALRAPQNLFLVSLASADILVATLVMPFSLANELMAYWYFGQVWCGVYLALDVLFCTSSIVHLCAISLDRYWSVTQAVEYNLKRTPRRVKATIVAVWLISAVISFPPLVSFYRRPDGAAYPQCGLNDETWYILSSCIGSFFAPCLIMGLVYARIYRVAKLRTRTLSEKRGPAGPDGASPTTENGLGKAAGENGHCAPPRTEVEPDESSAAERRRRRGALRRGGRRREGAEGDTGSADGPGPGLAAEQGARTASRSPGPGGRLSRASSRSVEFFLSRRRRARSSVCRRKVAQAREKRFTFVLAVVMGVFVLCWFPFFFSYSLYGICREACQLPEPLFKFFFWIGYCNSSLNPVIYTVFNQDFRRSFKHILFRRRRRGFRQ
UniProtP22086
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL314
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL81649
Molecular formulaC21H27N3O3S
IUPAC name4-[4-[2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]ethyl]piperazin-1-yl]benzenesulfonamide
Molecular weight401.525
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.2
SynonymsSCHEMBL7397229
WNUQCGWXPNGORO-OAQYLSRUSA-N
ZINC5162669
BDBM50051563
B7607
[ Show all ]
Inchi KeyWNUQCGWXPNGORO-OAQYLSRUSA-N
Inchi IDInChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m1/s1
PubChem CID10811059
ChEMBLCHEMBL81649
IUPHARN/A
BindingDB50051563
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki2600.0 nMPMID8968364BindingDB

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