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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

NameCHEMBL289758
Molecular formulaC27H29N3O3S
IUPAC name3-[4-(6-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl)butyl]-1H-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione
Molecular weight475.607
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.9
SynonymsBDBM50087498
(Cis)3-[4-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-butyl]-1H-benzo[4,5]thieno[3,2-d]pyrimidine-2,4-dione
Inchi KeyPJUNYVKXGHDWBR-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H29N3O3S/c1-33-22-9-6-8-18-19(22)12-11-17-15-29(16-21(17)18)13-4-5-14-30-26(31)25-24(28-27(30)32)20-7-2-3-10-23(20)34-25/h2-3,6-10,17,21H,4-5,11-16H2,1H3,(H,28,32)
PubChem CID44288392
ChEMBLCHEMBL289758
IUPHARN/A
BindingDB50087498
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki9.95 nMPMID10780916BindingDB,ChEMBL

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