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GPCR

NameAlpha-1D adrenergic receptor
SpeciesHomo sapiens (Human)
GeneADRA1D
Synonymalpha1a/d-adrenoceptor
adrenergic receptor delta1
Gpcr8
Adrd1
ADRA1R
[ Show all ]
DiseaseUrinary incontinence
Benign prostatic hyperplasia
Congestive heart failure
Diabetes
Erectile dysfunction
[ Show all ]
Length572
Amino acid sequenceMTFRDLLSVSFEGPRPDSSAGGSSAGGGGGSAGGAAPSEGPAVGGVPGGAGGGGGVVGAGSGEDNRSSAGEPGSAGAGGDVNGTAAVGGLVVSAQGVGVGVFLAAFILMAVAGNLLVILSVACNRHLQTVTNYFIVNLAVADLLLSATVLPFSATMEVLGFWAFGRAFCDVWAAVDVLCCTASILSLCTISVDRYVGVRHSLKYPAIMTERKAAAILALLWVVALVVSVGPLLGWKEPVPPDERFCGITEEAGYAVFSSVCSFYLPMAVIVVMYCRVYVVARSTTRSLEAGVKRERGKASEVVLRIHCRGAATGADGAHGMRSAKGHTFRSSLSVRLLKFSREKKAAKTLAIVVGVFVLCWFPFFFVLPLGSLFPQLKPSEGVFKVIFWLGYFNSCVNPLIYPCSSREFKRAFLRLLRCQCRRRRRRRPLWRVYGHHWRASTSGLRQDCAPSSGDAPPGAPLALTALPDPDPEPPGTPEMQAPVASRRKPPSAFREWRLLGPFRRPTTQLRAKVSSLSHKIRAGGAQRAEAACAQRSEVEAVSLGVPHEVAEGATCQAYELADYSNLRETDI
UniProtP25100
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseT53381
ChEMBLCHEMBL223
IUPHAR24
DrugBankBE0004863, BE0000715

Ligand

NameCHEMBL2153559
Molecular formulaC20H25NO6
IUPAC name2-(2,6-dimethoxyphenoxy)-N-[[(2S)-5-methoxy-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]ethanamine
Molecular weight375.421
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.9
SynonymsBDBM50392647
(S)-N-[2-(2,6-Dimethoxyphenoxy)ethyl]-5-methoxy-2,3-dihydro-1,4-benzodioxin-2beta-methanamine
CHEMBL2220898
Inchi KeyBPBCIZXGJQIHRC-AWEZNQCLSA-N
Inchi IDInChI=1S/C20H25NO6/c1-22-15-6-4-7-16(23-2)19(15)25-11-10-21-12-14-13-26-20-17(24-3)8-5-9-18(20)27-14/h4-9,14,21H,10-13H2,1-3H3/t14-/m0/s1
PubChem CID10621592
ChEMBLN/A
IUPHARN/A
BindingDB50392647
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki79.43 nMPMID23124215BindingDB

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