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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

NameCHEMBL300735
Molecular formulaC24H34N2O4S
IUPAC nameN-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]-4-methylbenzenesulfonamide
Molecular weight446.606
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.6
SynonymsBDBM50036859
CHEMBL26018
L005755
N-{4-[(5-Methoxy-chroman-3-yl)-propyl-amino]-butyl}-4-methyl-benzenesulfonamide; compound with oxalic acid
SCHEMBL9303823
Inchi KeyGCJDLTIMRVUXDP-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H34N2O4S/c1-4-15-26(20-17-22-23(29-3)8-7-9-24(22)30-18-20)16-6-5-14-25-31(27,28)21-12-10-19(2)11-13-21/h7-13,20,25H,4-6,14-18H2,1-3H3
PubChem CID9981024
ChEMBLCHEMBL26018
IUPHARN/A
BindingDB50036859
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC503000.0 nMPMID7912735BindingDB

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