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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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GPCR

NameBeta-1 adrenergic receptor
SpeciesSus scrofa (Pig)
GeneADRB1
SynonymBeta-1 adrenoceptor
Beta-1 adrenoreceptor
DiseaseN/A for non-human GPCRs
Length468
Amino acid sequenceMGAGALALGASEPCNLSSAAPLPDGAATAARLLVPASPPASLLTPASEGSVQLSQQWTAGMGLLMALIVLLIVAGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVVWGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITSPFRYQSLLTRAARALVCTVWAISALVSFLPILMHWWRDKGAEARRCYNDPKCCDFVTNRAYAIASSVVSFYVPLCIMAFVYLRVFREAQKQVKKIDSCERRFLGSPARPPSPAPSPGSPLPAAAAAAPVANGRTSKRRPSRLVALREQKALKTLGIIMGVFTLCWLPFFLANVVKAFHRDLVPDRLFVFFNWLGYANSAFNPIIYCRSPDFRKAFQRLLCCARRVARGSCAAAGDGPRASGCLAVARPPPSPGAASDDDDDEEDVGAAPPAPLLEPWAGYNGGAARDSDSSLDERTPGGRASESKV
UniProtQ28998
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4351
IUPHARN/A
DrugBankN/A

Ligand

NameVERAPAMIL
Molecular formulaC27H38N2O4
IUPAC name2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile
Molecular weight454.611
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.8
SynonymsVerapamilum
Lopac0_001237
Verpamil
NCGC00016083-07
NCGC00016083-16
[ Show all ]
Inchi KeySGTNSNPWRIOYBX-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3
PubChem CID2520
ChEMBLCHEMBL6966
IUPHARN/A
BindingDB81939
DrugBankDB00661

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
ED50<3.0 mg.kg-1PMID2435902ChEMBL

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