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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

NameCHEMBL120055
Molecular formulaC23H28N4O2
IUPAC name2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
Molecular weight392.503
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.8
SynonymsL011210
2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-(4-o-tolyl-piperazin-1-yl)-ethanone
1-[4-[2-Methylphenyl]piperazin-1-yl]-2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethanone
BDBM50033447
Inchi KeyDWSOZYFSYVOVOC-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H28N4O2/c1-17-4-2-3-5-22(17)26-10-12-27(13-11-26)23(28)16-29-19-6-7-21-20(14-19)18(8-9-24)15-25-21/h2-7,14-15,25H,8-13,16,24H2,1H3
PubChem CID10385855
ChEMBLCHEMBL120055
IUPHARN/A
BindingDB50033447
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC502.1 nMN/ABindingDB
Ki0.8 nMN/ABindingDB

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