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GPCR

NameAlpha-1B adrenergic receptor
SpeciesHomo sapiens (Human)
GeneADRA1B
Synonymalpha1B-adrenoceptor
alpha1B-adrenergic receptor
Alpha-1B adrenoreceptor
Alpha-1B adrenoceptor
alpha 1B-adrenoreceptor
[ Show all ]
DiseasePsychiatric disorder
Hypertension
Exogenous obesity
Attention deficit hyperactivity disorder
Length520
Amino acid sequenceMNPDLDTGHNTSAPAHWGELKNANFTGPNQTSSNSTLPQLDITRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAMADLLLSFTVLPFSAALEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAGVMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVVGMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFVRILGCQCRGRGRRRRRRRRRLGGCAYTYRPWTRGGSLERSQSRKDSLDDSGSCLSGSQRTLPSASPSPGYLGRGAPPPVELCAFPEWKAPGALLSLPAPEPPGRRGRHDSGPLFTFKLLTEPESPGTDGGASNGGCEAAADVANGQPGFKSNMPLAPGQF
UniProtP35368
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseT29500
ChEMBLCHEMBL232
IUPHAR23
DrugBankBE0000575

Ligand

NameBmy-7378
Molecular formulaC22H31N3O3
IUPAC name8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione
Molecular weight385.508
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP2.8
SynonymsLopac0_000206
NCGC00015126-06
UNII-08EI0K81OL
08EI0K81OL
8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione
[ Show all ]
Inchi KeyAYYCFGDXLUPJAQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
PubChem CID2419
ChEMBLCHEMBL13647
IUPHAR9
BindingDB50026917
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity0.1 -PMID15055991ChEMBL
Ki31.6228 - 100.0 nMPMID11459121, PMID11354357IUPHAR
Ki50.12 nMPMID21514979BindingDB
Ki64.57 nMPMID9822553ChEMBL
Ki69.18 nMPMID10514291ChEMBL
Ki94.0 nMPMID11354357BindingDB
Ki94.3 nMPMID11354357ChEMBL
Ki168.2 nMPMID15055991BindingDB,ChEMBL
Ki191.0 nMPMID15828846, PMID9548811BindingDB,ChEMBL
Ki524.81 nMPMID12065700BindingDB
Ki631.0 nMPMID12825930BindingDB,ChEMBL
Ki707.95 nMPMID18817363, PMID22145629, PMID20185311, PMID20605276, PMID11931617, PMID23252794, PMID27689727BindingDB,ChEMBL
Ki708.0 nMPMID23252794, PMID27689727BindingDB
pKB6.55 -PMID15055991ChEMBL
Ratio210.25 -PMID15055991ChEMBL

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