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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

NameCHEMBL57797
Molecular formulaC20H25Cl2N3O3
IUPAC nameN-(2,5-dichlorophenyl)-2-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)ethyl-methylamino]acetamide
Molecular weight426.338
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.4
SynonymsBDBM50143725
N-(2,5-Dichloro-phenyl)-2-{[2-(7,9-dioxo-8-aza-spiro[4.5]dec-8-yl)-ethyl]-methyl-amino}-acetamide
Inchi KeyCRMNYGHOWIXDED-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H25Cl2N3O3/c1-24(13-17(26)23-16-10-14(21)4-5-15(16)22)8-9-25-18(27)11-20(12-19(25)28)6-2-3-7-20/h4-5,10H,2-3,6-9,11-13H2,1H3,(H,23,26)
PubChem CID11316258
ChEMBLCHEMBL57797
IUPHARN/A
BindingDB50143725
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<1000.0 nMPMID15055991BindingDB,ChEMBL

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