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GPCR

NameAlpha-1D adrenergic receptor
SpeciesRattus norvegicus (Rat)
GeneAdra1d
SynonymADRA1A
Gpcr8
Adra-1
alpha1D-AR
alpha1D-adrenoceptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length561
Amino acid sequenceMTFRDILSVTFEGPRSSSSTGGSGAGGGAGTVGPEGGAVGGVPGATGGGAVVGTGSGEDNQSSTGEPGAAASGEVNGSAAVGGLVVSAQGVGVGVFLAAFILTAVAGNLLVILSVACNRHLQTVTNYFIVNLAVADLLLSAAVLPFSATMEVLGFWAFGRTFCDVWAAVDVLCCTASILSLCTISVDRYVGVRHSLKYPAIMTERKAAAILALLWAVALVVSVGPLLGWKEPVPPDERFCGITEEVGYAIFSSVCSFYLPMAVIVVMYCRVYVVARSTTRSLEAGIKREPGKASEVVLRIHCRGAATSAKGYPGTQSSKGHTLRSSLSVRLLKFSREKKAAKTLAIVVGVFVLCWFPFFFVLPLGSLFPQLKPSEGVFKVIFWLGYFNSCVNPLIYPCSSREFKRAFLRLLRCQCRRRRRRLWAVYGHHWRASTGDARSDCAPSPRIAPPGAPLALTAHPGAGSADTPETQDSVSSSRKPASALREWRLLGPLQRPTTQLRAKVSSLSHKIRSGARRAETACALRSEVEAVSLNVPQDGAEAVICQAYEPGDYSNLRETDI
UniProtP23944
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL326
IUPHAR24
DrugBankN/A

Ligand

NameCHEMBL55460
Molecular formulaC20H27Cl2N3O2
IUPAC name8-[2-[2-(2,5-dichloroanilino)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione
Molecular weight412.355
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.2
SynonymsBDBM50143710
8-(2-{[2-(2,5-Dichloro-phenylamino)-ethyl]-methyl-amino}-ethyl)-8-aza-spiro[4.5]decane-7,9-dione
Inchi KeyCAFBNEJZNQABOY-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H27Cl2N3O2/c1-24(9-8-23-17-12-15(21)4-5-16(17)22)10-11-25-18(26)13-20(14-19(25)27)6-2-3-7-20/h4-5,12,23H,2-3,6-11,13-14H2,1H3
PubChem CID11350440
ChEMBLCHEMBL55460
IUPHARN/A
BindingDB50143710
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki673.67 nMPMID15055991BindingDB,ChEMBL

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