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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

NameCHEMBL91326
Molecular formulaC24H34N4O2
IUPAC name2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,3-trimethylbenzamide
Molecular weight410.562
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.2
SynonymsSCHEMBL9027286
2-{3-[4-(2-methoxy-phenyl)piperazin-1-yl]propylamino}-N,N,3-trimethylbenzamide
2-{3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino}-N,N,3-trimethylbenzamide
ADBSINZYBRTZMT-UHFFFAOYSA-N
Inchi KeyADBSINZYBRTZMT-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H34N4O2/c1-19-9-7-10-20(24(29)26(2)3)23(19)25-13-8-14-27-15-17-28(18-16-27)21-11-5-6-12-22(21)30-4/h5-7,9-12,25H,8,13-18H2,1-4H3
PubChem CID21473427
ChEMBLCHEMBL91326
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
Kd3.162 nMPMID9276013ChEMBL

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