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GPCR

NameAlpha-2C adrenergic receptor
SpeciesHomo sapiens (Human)
GeneADRA2C
SynonymAdrenergic alpha2C- receptor class I
alpha-2C adrenoreceptor
alpha2-C4
Alpha-2CAR
alpha-2C adrenergic receptor
[ Show all ]
DiseasePoison intoxication
Hypotension
Male sexual disorders
Neurological disease
Obesity
[ Show all ]
Length462
Amino acid sequenceMASPALAAALAVAAAAGPNASGAGERGSGGVANASGASWGPPRGQYSAGAVAGLAAVVGFLIVFTVVGNVLVVIAVLTSRALRAPQNLFLVSLASADILVATLVMPFSLANELMAYWYFGQVWCGVYLALDVLFCTSSIVHLCAISLDRYWSVTQAVEYNLKRTPRRVKATIVAVWLISAVISFPPLVSLYRQPDGAAYPQCGLNDETWYILSSCIGSFFAPCLIMGLVYARIYRVAKLRTRTLSEKRAPVGPDGASPTTENGLGAAAGAGENGHCAPPPADVEPDESSAAAERRRRRGALRRGGRRRAGAEGGAGGADGQGAGPGAAESGALTASRSPGPGGRLSRASSRSVEFFLSRRRRARSSVCRRKVAQAREKRFTFVLAVVMGVFVLCWFPFFFSYSLYGICREACQVPGPLFKFFFWIGYCNSSLNPVIYTVFNQDFRRSFKHILFRRRRRGFRQ
UniProtP18825
Protein Data BankN/A
GPCR-HGmod modelP18825
3D structure modelThis predicted structure model is from GPCR-EXP P18825.
BioLiPN/A
Therapeutic Target DatabaseT01777
ChEMBLCHEMBL1916
IUPHAR27
DrugBankBE0004888, BE0000342, BE0004864

Ligand

NameCHEMBL2112975
Molecular formulaC27H32N4O3
IUPAC nameethyl (3R,3aR)-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-3a,4-dihydro-3H-[1,2]oxazolo[4,3-c]quinoline-5-carboxylate
Molecular weight460.578
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.8
SynonymsBDBM50024309
Inchi KeyCHKGJSUYXRACOM-BSNUYDGMSA-N
Inchi IDInChI=1S/C27H32N4O3/c1-2-33-27(32)31-19-23-25(34-28-26(23)22-12-6-7-13-24(22)31)20-30-17-15-29(16-18-30)14-8-11-21-9-4-3-5-10-21/h3-13,23,25H,2,14-20H2,1H3/b11-8+/t23-,25-/m0/s1
PubChem CID11385652
ChEMBLCHEMBL2112975
IUPHARN/A
BindingDB50024309
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki9.8 nMPMID15771448BindingDB,ChEMBL

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