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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

NameCHEMBL328377
Molecular formulaC27H31N3O4
IUPAC name3-[[4-(1H-inden-2-ylmethyl)piperazin-1-yl]methyl]-7,8-dimethoxy-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazole
Molecular weight461.562
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.3
Synonyms3-[4-(1H-Inden-2-ylmethyl)-piperazin-1-ylmethyl]-7,8-dimethoxy-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole
BDBM50131356
Inchi KeyAQDOXXILINNVJB-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H31N3O4/c1-31-24-13-21-23(14-25(24)32-2)33-17-22-26(34-28-27(21)22)16-30-9-7-29(8-10-30)15-18-11-19-5-3-4-6-20(19)12-18/h3-6,11,13-14,22,26H,7-10,12,15-17H2,1-2H3
PubChem CID44324859
ChEMBLCHEMBL328377
IUPHARN/A
BindingDB50131356
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki4.7 nMPMID12873501BindingDB,ChEMBL

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