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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

NameCHEMBL1259006
Molecular formulaC24H25N3S
IUPAC name1-methyl-4-(3-pyridin-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
Molecular weight387.545
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.3
SynonymsBDBM50328485
1-Methyl-4-(8-(pyridin-2-yl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl)piperazine
Inchi KeyQIEFWSCBWYBVOT-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H25N3S/c1-26-12-14-27(15-13-26)22-17-19-6-2-3-8-23(19)28-24-10-9-18(16-20(22)24)21-7-4-5-11-25-21/h2-11,16,22H,12-15,17H2,1H3
PubChem CID49781449
ChEMBLCHEMBL1259006
IUPHARN/A
BindingDB50328485
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki1.6 nMPMID20857909BindingDB,ChEMBL

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