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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

NameCHEMBL491419
Molecular formulaC28H33N3O4
IUPAC name1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[2-[(2-phenoxypyridin-3-yl)methoxy]ethyl]-1,4-diazepane
Molecular weight475.589
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.0
SynonymsBDBM50263724
1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-4-(2-((2-phenoxypyridin-3-yl)methoxy)ethyl)-1,4-diazepane
Inchi KeyAFRRMVBYOMNLHN-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H33N3O4/c1-2-9-24(10-3-1)35-28-23(8-6-13-29-28)21-32-19-18-30-14-7-15-31(17-16-30)20-25-22-33-26-11-4-5-12-27(26)34-25/h1-6,8-13,25H,7,14-22H2
PubChem CID44579271
ChEMBLCHEMBL491419
IUPHARN/A
BindingDB50263724
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki2.5 nMPMID18799310BindingDB,ChEMBL
Ki6.8 nMPMID18799310BindingDB,ChEMBL

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