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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

NameCHEMBL327231
Molecular formulaC27H33FN8O2
IUPAC name4-[3-[4-[4-fluoro-2-(1,3-oxazol-2-yl)phenyl]piperazin-1-yl]propylamino]-N,N,1,3-tetramethylpyrazolo[3,4-b]pyridine-5-carboxamide
Molecular weight520.613
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP3.4
SynonymsN,N,1,3-Tetramethyl-4-[3-[4-[2-(oxazol-2-yl)-4-fluorophenyl]piperazino]propylamino]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
Inchi KeyFPZDPICFUSMQDJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H33FN8O2/c1-18-23-24(21(27(37)33(2)3)17-31-25(23)34(4)32-18)29-8-5-10-35-11-13-36(14-12-35)22-7-6-19(28)16-20(22)26-30-9-15-38-26/h6-7,9,15-17H,5,8,10-14H2,1-4H3,(H,29,31)
PubChem CID10506159
ChEMBLCHEMBL327231
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Kd0.1259 nMPMID9276013ChEMBL

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