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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

NameCHEMBL283036
Molecular formulaC19H19F3N4
IUPAC name3-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
Molecular weight360.384
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.6
SynonymsBDBM50099891
L011518
3-[4-(4-Trifluoromethyl-phenyl)-piperazin-1-ylmethyl]-1H-pyrrolo[2,3-b]pyridine
SCHEMBL5196333
Inchi KeyBFQIOOYNLCWKIJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H19F3N4/c20-19(21,22)15-3-5-16(6-4-15)26-10-8-25(9-11-26)13-14-12-24-18-17(14)2-1-7-23-18/h1-7,12H,8-11,13H2,(H,23,24)
PubChem CID19958494
ChEMBLCHEMBL283036
IUPHARN/A
BindingDB50099891
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMPMID11378358BindingDB,ChEMBL

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