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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

Name15532-75-9
Molecular formulaC11H13F3N2
IUPAC name1-[3-(trifluoromethyl)phenyl]piperazine
Molecular weight230.234
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.3
Synonyms4-(3-trifluoromethyl- phenyl)-piperazine
NCGC00163171-01
AC1Q4ISN
PubChem20946
ANW-21561
[ Show all ]
Inchi KeyKKIMDKMETPPURN-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H13F3N2/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16/h1-3,8,15H,4-7H2
PubChem CID4296
ChEMBLCHEMBL274866
IUPHAR115
BindingDB50007406
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki27.54 nMPMID7984267PDSP,BindingDB
Ki28.0 nMPMID1315531PDSP,BindingDB
Ki64.0 nMPMID1565658PDSP,BindingDB
Ki114.81 nMPMID7984267PDSP,BindingDB
Ki125.893 - 630.957 nMPMID1565658, PMID8863519IUPHAR
Ki245.47 nMPMID7984267PDSP,BindingDB

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