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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

NameCHEMBL1259080
Molecular formulaC27H30N2S
IUPAC name1-[3-(2,3-dimethylphenyl)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-methylpiperazine
Molecular weight414.611
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP6.1
SynonymsBDBM50328493
1-(8-(2,3-Dimethylphenyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine
Inchi KeyALJFHHUCGXIRIJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H30N2S/c1-19-7-6-9-23(20(19)2)21-11-12-27-24(17-21)25(29-15-13-28(3)14-16-29)18-22-8-4-5-10-26(22)30-27/h4-12,17,25H,13-16,18H2,1-3H3
PubChem CID49781679
ChEMBLCHEMBL1259080
IUPHARN/A
BindingDB50328493
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki1.2 nMPMID20857909BindingDB,ChEMBL

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