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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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GPCR

NameAlpha-1A adrenergic receptor
SpeciesBos taurus (Bovine)
GeneADRA1A
SynonymAlpha-1A adrenoreceptor
Alpha-1C adrenergic receptor
Alpha-1A adrenoceptor
DiseaseN/A for non-human GPCRs
Length466
Amino acid sequenceMVFLSGNASDSSNCTHPPPPVNISKAILLGVILGGLILFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNVWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQKRGLMALLCVWALSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYVPLTIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNAQVGGSGVTSAKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFRPSETVFKIAFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLRRKQSSKHTLGYTLHAPSHVLEGQHKDLVRIPVGSAETFYKISKTDGVCEWKIFSSLPRGSARMAVARDPSACTTARVRSKSFLQVCCCLGPSTPSHGENHQIPTIKIHTISLSENGEEV
UniProtP18130
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4892
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL338704
Molecular formulaC11H14BrN5
IUPAC name5-bromo-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazine
Molecular weight296.172
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP2.0
Synonyms143592-04-5
5-Bromo-8-(4-methyl-1-piperazinyl)imidazo[1,2-a]pyrazine
5-Bromo-8-(4-methyl-piperazin-1-yl)-imidazo[1,2-a]pyrazine
BDBM50002154
Imidazo[1,2-a]pyrazine, 5-bromo-8-(4-methyl-1-piperazinyl)-
Inchi KeyGGMJIGKSISOICZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H14BrN5/c1-15-4-6-16(7-5-15)10-11-13-2-3-17(11)9(12)8-14-10/h2-3,8H,4-7H2,1H3
PubChem CID10266538
ChEMBLCHEMBL338704
IUPHARN/A
BindingDB50002154
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition22.0 %PMID1359141ChEMBL

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