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GPCR

NameAlpha-1A adrenergic receptor
SpeciesBos taurus (Bovine)
GeneADRA1A
SynonymAlpha-1A adrenoceptor
Alpha-1A adrenoreceptor
Alpha-1C adrenergic receptor
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

NameCHEMBL296395
Molecular formulaC22H24N2O4
IUPAC name2-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]butyl]isoindole-1,3-dione
Molecular weight380.444
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.9
Synonyms2-[4-[[(5-Methoxy-3,4-dihydro-2H-1-benzopyran)-3-yl]amino]butyl]-1H-isoindole-1,3(2H)-dione
SCHEMBL9304905
BDBM50036867
FVFQQWRAUZNCPU-UHFFFAOYSA-N
3-[N-(4-PHTHALIMIDOBUTYL)AMINO]-5-METHOXYCHROMAN
[ Show all ]
Inchi KeyFVFQQWRAUZNCPU-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H24N2O4/c1-27-19-9-6-10-20-18(19)13-15(14-28-20)23-11-4-5-12-24-21(25)16-7-2-3-8-17(16)22(24)26/h2-3,6-10,15,23H,4-5,11-14H2,1H3
PubChem CID10429859
ChEMBLN/A
IUPHARN/A
BindingDB50036867
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC501000000.0 nMPMID7912735BindingDB

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