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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

NameCHEMBL318105
Molecular formulaC13H18N4
IUPAC name3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-amine
Molecular weight230.315
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP1.3
Synonyms5-amino-3-(1-methyl-piperidin-4yl)pyrrolo[3,2-b]pyridine
SCHEMBL7007941
5-amino-3-(1- methylpiperidin-4-yl)pyrrolo[3,2-b]pyridine
5-amino-3-(1-methylpiperidin-4-yl)pyrrolo[3,2-b]pyridine
ZINC13523619
[ Show all ]
Inchi KeyLAOHESRIMKGEEK-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H18N4/c1-17-6-4-9(5-7-17)10-8-15-11-2-3-12(14)16-13(10)11/h2-3,8-9,15H,4-7H2,1H3,(H2,14,16)
PubChem CID10220230
ChEMBLCHEMBL318105
IUPHARN/A
BindingDB50130462
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki800.0 nMPMID12825944BindingDB,ChEMBL

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