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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

NameCHEMBL301650
Molecular formulaC20H22F6N4O3
IUPAC name3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-5-(trifluoromethyl)-1H-pyrimidine-2,4-dione
Molecular weight480.411
Hydrogen bond acceptor11
Hydrogen bond donor1
XlogP3.2
SynonymsBDBM50220745
Inchi KeyCZJQYRRCGRRBAS-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H22F6N4O3/c21-19(22,23)13-33-16-5-2-1-4-15(16)29-10-8-28(9-11-29)6-3-7-30-17(31)14(20(24,25)26)12-27-18(30)32/h1-2,4-5,12H,3,6-11,13H2,(H,27,32)
PubChem CID44298747
ChEMBLCHEMBL301650
IUPHARN/A
BindingDB50220745
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.

Experimental Data

ParameterValueReferenceDatabase source
pA2/pKB7.5 -PMID12749888ChEMBL

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