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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

NameCHEMBL119800
Molecular formulaC24H25N3O2
IUPAC name3-[(E)-3-(dimethylamino)prop-1-enyl]-4-methoxy-N-(4-pyridin-4-ylphenyl)benzamide
Molecular weight387.483
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.8
SynonymsBDBM50060516
3-((E)-3-Dimethylamino-propenyl)-4-methoxy-N-(4-pyridin-4-yl-phenyl)-benzamide
3-[(E)-3-(Dimethylamino)-1-propenyl]-4-methoxy-N-[4-(4-pyridinyl)phenyl]benzamide
3-[(Z)-3-(Dimethylamino)-1-propenyl]-4-methoxy-N-[4-(4-pyridinyl)phenyl]benzamide
Inchi KeyAAFLHUGZAQQWED-SNAWJCMRSA-N
Inchi IDInChI=1S/C24H25N3O2/c1-27(2)16-4-5-20-17-21(8-11-23(20)29-3)24(28)26-22-9-6-18(7-10-22)19-12-14-25-15-13-19/h4-15,17H,16H2,1-3H3,(H,26,28)/b5-4+
PubChem CID10643939
ChEMBLCHEMBL119800
IUPHARN/A
BindingDB50060516
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity23.0 -PMID9357521ChEMBL
Ki13.6 nMPMID9357521BindingDB,ChEMBL
Ki18.8 nMPMID9357521ChEMBL
Ki19.0 nMPMID9357521BindingDB

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