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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

NameCHEMBL218675
Molecular formulaC24H30N4O
IUPAC name[2-methyl-4-[4-(3,3,4-trimethylpiperazin-1-yl)anilino]quinolin-3-yl]methanol
Molecular weight390.531
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.3
SynonymsBDBM50196123
{2-methyl-4-[4-(3,3,4-trimethylpiperazin-1-yl)phenylamino]-quinolin-3-yl}methanol
Inchi KeyAANVRTGJCGRJSR-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H30N4O/c1-17-21(15-29)23(20-7-5-6-8-22(20)25-17)26-18-9-11-19(12-10-18)28-14-13-27(4)24(2,3)16-28/h5-12,29H,13-16H2,1-4H3,(H,25,26)
PubChem CID16090630
ChEMBLCHEMBL218675
IUPHARN/A
BindingDB50196123
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Kb2.8 nMPMID17034141ChEMBL
Ki3.8 nMPMID21277656, PMID17034141BindingDB,ChEMBL
Ki3.802 nMPMID21277656ChEMBL

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