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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

NameCHEMBL62109
Molecular formulaC24H26ClN3O4
IUPAC name3-[2-[(3aR,9bR)-6-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl]ethyl]-6-chloro-7-methoxy-1H-quinazoline-2,4-dione
Molecular weight455.939
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.4
Synonyms6-Chloro-7-methoxy-3-[2-(6-methoxy-2,3,3abeta,4,5,9bbeta-hexahydro-1H-benzo[e]isoindole-2-yl)ethyl]quinazoline-2,4(1H,3H)-dione
BDBM50100207
6-Chloro-7-methoxy-3-[2-(6-methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-1H-quinazoline-2,4-dione
Inchi KeyCPYTXHMLULQLQU-KBXCAEBGSA-N
Inchi IDInChI=1S/C24H26ClN3O4/c1-31-21-5-3-4-15-16(21)7-6-14-12-27(13-18(14)15)8-9-28-23(29)17-10-19(25)22(32-2)11-20(17)26-24(28)30/h3-5,10-11,14,18H,6-9,12-13H2,1-2H3,(H,26,30)/t14-,18+/m0/s1
PubChem CID10742417
ChEMBLCHEMBL62109
IUPHARN/A
BindingDB50100207
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki2.71 nMPMID11384242BindingDB,ChEMBL

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