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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

NameBmy-7378
Molecular formulaC22H31N3O3
IUPAC name8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione
Molecular weight385.508
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP2.8
Synonyms8-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-8-aza-spiro[4.5]decane-7,9-dione(BMY-7378)
BCPP000322
CHEMBL13647
LS-187518
NCGC00024935-01
[ Show all ]
Inchi KeyAYYCFGDXLUPJAQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
PubChem CID2419
ChEMBLCHEMBL13647
IUPHAR9
BindingDB50026917
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki0.778 nMPMID11354357BindingDB
Ki0.778 nMPMID11354357ChEMBL
Ki0.794328 - 1.99526 nMPMID11459121, PMID11354357IUPHAR
Ki1.05 nMPMID21514979BindingDB
Ki1.288 nMPMID18817363, PMID9822553, PMID22145629, PMID20185311, PMID20605276, PMID11931617, PMID23252794, PMID27689727ChEMBL
Ki1.29 nMPMID18817363, PMID20605276, PMID22145629, PMID20185311BindingDB
Ki1.3 nMPMID23252794, PMID27689727BindingDB
Ki1.445 nMPMID10514291ChEMBL
Ki1.6 nMPMID15828846, PMID9548811BindingDB,ChEMBL
Ki2.512 nMPMID12065700BindingDB
Ki6.3 nMPMID12825930BindingDB,ChEMBL
Ratio10.75 -PMID15055991ChEMBL

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