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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

NameCHEMBL239596
Molecular formulaC25H29ClN4O2
IUPAC name5-(4-chlorophenyl)-3-[[3-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-yl]oxymethyl]-1,2,4-oxadiazole
Molecular weight452.983
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.8
SynonymsBDBM50203567
1-(6-((5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl)methoxy)-2,3-dihydro-1H-inden-1-yl)-4-isopropylpiperazine
Inchi KeyBEXPSWDCLXOHKK-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H29ClN4O2/c1-17(2)29-11-13-30(14-12-29)23-10-6-18-5-9-21(15-22(18)23)31-16-24-27-25(32-28-24)19-3-7-20(26)8-4-19/h3-5,7-9,15,17,23H,6,10-14,16H2,1-2H3
PubChem CID44438461
ChEMBLCHEMBL239596
IUPHARN/A
BindingDB50203567
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki31.0 nMPMID17257843BindingDB,ChEMBL

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