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GPCR

Name5-hydroxytryptamine receptor 1B
SpeciesHomo sapiens (Human)
GeneHTR1B
Synonym5-HT1B receptor
5-HT-1B
5-HT-1D-beta
5-HT1B
Serotonin 1D beta receptor
[ Show all ]
DiseaseChronic schizophrenics
Major depressive disorder
Migraine headaches
Mood disorder
Psychotic disorders
[ Show all ]
Length390
Amino acid sequenceMEEPGAQCAPPPPAGSETWVPQANLSSAPSQNCSAKDYIYQDSISLPWKVLLVMLLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASILHLCVIALDRYWAITDAVEYSAKRTPKRAAVMIALVWVFSISISLPPFFWRQAKAEEEVSECVVNTDHILYTVYSTVGAFYFPTLLLIALYGRIYVEARSRILKQTPNRTGKRLTRAQLITDSPGSTSSVTSINSRVPDVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHLAIFDFFTWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTS
UniProtP28222
Protein Data Bank4iar, 6g79, 5v54
GPCR-HGmod modelP28222
3D structure modelThis structure is from PDB ID 4iar.
BioLiPBL0239857, BL0403524,BL0403525, BL0417722
Therapeutic Target DatabaseT07806
ChEMBLCHEMBL1898
IUPHAR2
DrugBankBE0000797

Ligand

Namefenfluramine
Molecular formulaC12H16F3N
IUPAC nameN-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine
Molecular weight231.262
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.4
SynonymsDSSTox_GSID_23044
Fenfluramina [DCIT]
fenfluraminehydrochloride
(+-)-Fenfluramine
KBio1_000980
[ Show all ]
Inchi KeyDBGIVFWFUFKIQN-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3
PubChem CID3337
ChEMBLN/A
IUPHARN/A
BindingDB84738
DrugBankDB00574

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki1837.0 nMhttp://pdsp.med.unc.edu/pdsp.phpPDSP
Ki1907.0 nMhttp://pdsp.med.unc.edu/pdsp.phpPDSP
Ki2850.0 nMhttp://pdsp.med.unc.edu/pdsp.phpPDSP

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