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GPCR

NameAlpha-1B adrenergic receptor
SpeciesMesocricetus auratus (Golden hamster)
GeneADRA1B
SynonymAlpha-1B adrenoceptor
Alpha-1B adrenoreceptor
DiseaseN/A for non-human GPCRs
Length515
Amino acid sequenceMNPDLDTGHNTSAPAQWGELKDANFTGPNQTSSNSTLPQLDVTRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAIADLLLSFTVLPFSATLEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAGVMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVVGMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFMRILGCQCRSGRRRRRRRRLGACAYTYRPWTRGGSLERSQSRKDSLDDSGSCMSGSQRTLPSASPSPGYLGRGAQPPLELCAYPEWKSGALLSLPEPPGRRGRLDSGPLFTFKLLGEPESPGTEGDASNGGCDATTDLANGQPGFKSNMPLAPGHF
UniProtP18841
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3122
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL43909
Molecular formulaC29H27N5O3S
IUPAC name5-[2-[(3aR,9bR)-6-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl]ethyl]-12-phenyl-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene-4,6-dione
Molecular weight525.627
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.1
Synonyms7-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-3-phenyl-5H-9-thia-1,4,5,7-tetraaza-fluorene-6,8-dione
3-[2-[[(3aR,9bR)-6-Methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]isoindole]-2-yl]ethyl]-8-phenylpyrazino[2',3':4,5]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
BDBM50087486
Inchi KeyQQGYNGUUZMLKBV-GHTZIAJQSA-N
Inchi IDInChI=1S/C29H27N5O3S/c1-37-23-9-5-8-19-20(23)11-10-18-15-33(16-21(18)19)12-13-34-28(35)26-24(32-29(34)36)25-27(38-26)30-14-22(31-25)17-6-3-2-4-7-17/h2-9,14,18,21H,10-13,15-16H2,1H3,(H,32,36)/t18-,21+/m0/s1
PubChem CID10602180
ChEMBLCHEMBL43909
IUPHARN/A
BindingDB50087486
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki120.0 nMPMID10780916BindingDB,ChEMBL

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