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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

NameCHEMBL93923
Molecular formulaC28H31FN6O
IUPAC name1-[2-[4-[1-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
Molecular weight486.595
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.4
SynonymsBDBM50122799
SCHEMBL6962059
1-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-pyrazol-3-yl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
Inchi KeyDVICNJMXCZEIQX-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H31FN6O/c1-32-12-10-26(31-32)21-2-7-27-24(18-21)25(19-35(27)23-5-3-22(29)4-6-23)20-8-13-33(14-9-20)16-17-34-15-11-30-28(34)36/h2-7,10,12,18-20H,8-9,11,13-17H2,1H3,(H,30,36)
PubChem CID11049209
ChEMBLCHEMBL93923
IUPHARN/A
BindingDB50122799
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki4.8 nMPMID12519065BindingDB,ChEMBL

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