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GPCR

NameAlpha-1B adrenergic receptor
SpeciesRattus norvegicus (Rat)
GeneAdra1b
Synonymadrenergic receptor
alpha 1B-adrenoceptor
alpha 1B-adrenoreceptor
adrenergic alpha 1B receptor
Alpha-1B adrenoceptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length515
Amino acid sequenceMNPDLDTGHNTSAPAHWGELKDDNFTGPNQTSSNSTLPQLDVTRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAIADLLLSFTVLPFSATLEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAGVMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVVGMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFMRILGCQCRGGRRRRRRRRLGACAYTYRPWTRGGSLERSQSRKDSLDDSGSCMSGTQRTLPSASPSPGYLGRGTQPPVELCAFPEWKPGALLSLPEPPGRRGRLDSGPLFTFKLLGDPESPGTEGDTSNGGCDTTTDLANGQPGFKSNMPLAPGHF
UniProtP15823
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL315
IUPHAR23
DrugBankN/A

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
SynonymsNCGC00015126-06
UNII-08EI0K81OL
08EI0K81OL
8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione
AYYCFGDXLUPJAQ-UHFFFAOYSA-N
[ 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
Kd28.18 nMPMID9822553BindingDB,ChEMBL
Kd33.11 nMPMID11931617BindingDB,ChEMBL
Kd42.66 nMPMID11354357ChEMBL
Ki328.0 nMPMID9548811ChEMBL
Ki328.0 nMPMID9548811BindingDB
pKb7.48 -PMID15686938, PMID18817363, PMID20605276, PMID22145629ChEMBL
pKb7.55 -PMID10514291ChEMBL

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