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GPCR

NameAlpha-1A adrenergic receptor
SpeciesOryctolagus cuniculus (Rabbit)
GeneADRA1A
SynonymAlpha-1A adrenoceptor
Alpha-1A adrenoreceptor
Alpha-1C adrenergic receptor
DiseaseN/A for non-human GPCRs
Length466
Amino acid sequenceMVFLSGNASDSSNCTHPPAPVNISKAILLGVILGGLILFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNIWAAVDVLCCTASIISLCVISIDRYIGVSYPLRYPTIVTQRRGLRALLCVWAFSLVISVGPLFGWRQPAPDDETICQINEEPGYVLFSALGSFYVPLTIILAMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNAPAGGSGVASAKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPPETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLKIQCLRRKQSSKHALGYTLHAPSQALEGQHKDMVRIPVGSGETFYKISKTDGVCEWKFFSSMPRGSARITVPKDQSACTTARVRSKSFLQVCCCVGPSTPNPGENHQVPTIKIHTISLSENGEEV
UniProtO02824
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3637
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL329773
Molecular formulaC23H30ClFN7O2+
IUPAC name3-chloro-7-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-8-ium-6-carboxamide
Molecular weight490.988
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.0
SynonymsN/A
Inchi KeyIIXNABCIGLQFIV-UHFFFAOYSA-O
Inchi IDInChI=1S/C23H29ClFN7O2/c1-29(2)23(33)17-14-27-22-18(24)15-28-32(22)21(17)26-7-4-8-30-9-11-31(12-10-30)19-6-5-16(25)13-20(19)34-3/h5-6,13-15H,4,7-12H2,1-3H3,(H,26,27,28,33)/p+1
PubChem CID10577066
ChEMBLCHEMBL329773
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Kd0.7943 nMPMID9276013ChEMBL

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