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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

NameN-[3-(4,4-Diphenylpiperidino)propyl]-2-(4-methoxybutyl)-4-(4-nitrophenyl)-6-ethyl-1,4-dihydropyridine-3,5-dicarboxamide
Molecular formulaC40H49N5O5
IUPAC name5-N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-ethyl-6-(4-methoxybutyl)-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide
Molecular weight679.862
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP6.0
SynonymsN/A
Inchi KeyCPNQDPLKZHXMSB-UHFFFAOYSA-N
Inchi IDInChI=1S/C40H49N5O5/c1-3-33-36(38(41)46)35(29-18-20-32(21-19-29)45(48)49)37(34(43-33)17-10-11-28-50-2)39(47)42-24-12-25-44-26-22-40(23-27-44,30-13-6-4-7-14-30)31-15-8-5-9-16-31/h4-9,13-16,18-21,35,43H,3,10-12,17,22-28H2,1-2H3,(H2,41,46)(H,42,47)
PubChem CID44329026
ChEMBLCHEMBL99864
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki347.0 nMPMID10522703ChEMBL

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