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GPCR

NameAlpha-1B adrenergic receptor
SpeciesHomo sapiens (Human)
GeneADRA1B
Synonymalpha1B-adrenoceptor
alpha1B-adrenergic receptor
Alpha-1B adrenoreceptor
Alpha-1B adrenoceptor
alpha 1B-adrenoreceptor
[ Show all ]
DiseasePsychiatric disorder
Hypertension
Exogenous obesity
Attention deficit hyperactivity disorder
Length520
Amino acid sequenceMNPDLDTGHNTSAPAHWGELKNANFTGPNQTSSNSTLPQLDITRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAMADLLLSFTVLPFSAALEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAGVMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVVGMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFVRILGCQCRGRGRRRRRRRRRLGGCAYTYRPWTRGGSLERSQSRKDSLDDSGSCLSGSQRTLPSASPSPGYLGRGAPPPVELCAFPEWKAPGALLSLPAPEPPGRRGRHDSGPLFTFKLLTEPESPGTDGGASNGGCEAAADVANGQPGFKSNMPLAPGQF
UniProtP35368
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseT29500
ChEMBLCHEMBL232
IUPHAR23
DrugBankBE0000575

Ligand

NameCHEMBL3287723
Molecular formulaC25H32O7
IUPAC name3-[4-[4-(3,3-dimethylbutanoyl)-3-hydroxy-2-methylphenoxy]butoxy]-4-methoxybenzoic acid
Molecular weight444.524
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP5.7
SynonymsBDBM50017268
SCHEMBL17164270
Inchi KeyAOYJKNKRKBOUAP-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H32O7/c1-16-20(11-9-18(23(16)27)19(26)15-25(2,3)4)31-12-6-7-13-32-22-14-17(24(28)29)8-10-21(22)30-5/h8-11,14,27H,6-7,12-13,15H2,1-5H3,(H,28,29)
PubChem CID90643887
ChEMBLCHEMBL3287723
IUPHARN/A
BindingDB50017268
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition-17.1 %PMID24735492ChEMBL

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