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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

NameCHEMBL343173
Molecular formulaC30H29FN4O
IUPAC nameN-[(4-carbamimidoylphenyl)methyl]-2-[2-fluoro-6-phenyl-3-(2-phenylethylamino)phenyl]acetamide
Molecular weight480.587
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP5.3
SynonymsSubstituted Benzene Analog 50a
BDBM14595
N-[(4-carbamimidoylphenyl)methyl]-2-{2-fluoro-6-phenyl-3-[(2-phenylethyl)amino]phenyl}acetamide
N-{4-[Amino(imino)methyl]benzyl}-2-{3-fluoro-4-[(2-phenylethyl)amino]-1,1-biphenyl-2-yl}acetamide
Inchi KeyAQUBGXSYJSSYPL-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H29FN4O/c31-29-26(19-28(36)35-20-22-11-13-24(14-12-22)30(32)33)25(23-9-5-2-6-10-23)15-16-27(29)34-18-17-21-7-3-1-4-8-21/h1-16,34H,17-20H2,(H3,32,33)(H,35,36)
PubChem CID11059896
ChEMBLCHEMBL343173
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC507000.0 nMPMID13678408ChEMBL

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