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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

NameCHEMBL328187
Molecular formulaC27H30FN7O
IUPAC name1-[2-[4-[1-(4-fluorophenyl)-5-(1-methyltriazol-4-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
Molecular weight487.583
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.9
Synonyms1-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-[1,2,3]triazol-4-yl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
BDBM50122807
L019142
SCHEMBL6967889
Inchi KeyDUTDDZFCPPOWFH-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H30FN7O/c1-32-18-25(30-31-32)20-2-7-26-23(16-20)24(17-35(26)22-5-3-21(28)4-6-22)19-8-11-33(12-9-19)14-15-34-13-10-29-27(34)36/h2-7,16-19H,8-15H2,1H3,(H,29,36)
PubChem CID9848303
ChEMBLCHEMBL328187
IUPHARN/A
BindingDB50122807
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki3.0 nMPMID23218776BindingDB
Ki3.0 nMPMID23218776, PMID20857909BindingDB,ChEMBL

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