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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

Name8-OH-Dpat
Molecular formulaC16H25NO
IUPAC name7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
Molecular weight247.382
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP4.1
Synonyms78950-78-4
8-HYDROXY-2-(DI-n-PROPYLAMINO)TETRALIN
7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
8-Hydroxy-DPAT
CHEMBL56
[ Show all ]
Inchi KeyASXGJMSKWNBENU-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
PubChem CID1220
ChEMBLCHEMBL56
IUPHAR31, 7
BindingDB21393
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50260.0 nMPMID9871775BindingDB,ChEMBL
IC50630.957 nMPMID9303569IUPHAR
Kd1.25893 nMPMID10431754IUPHAR
Ki38.0 nMPMID1315531PDSP,BindingDB
Ki38.01 nMPMID7984267PDSP,BindingDB
Ki120.0 nMPMID1565658PDSP,BindingDB
Ki257.03 nMPMID7984267PDSP,BindingDB
Ki559.0 nMPMID9871775BindingDB,ChEMBL
Ki630.95 nMPMID7984267PDSP,BindingDB
Ki638.0 nMPMID7783152BindingDB,ChEMBL
Ki700.0 nMPMID9303569PDSP,BindingDB
Ki710.0 nMPMID9303569PDSP,BindingDB
Ki2570.39 nMPMID7984267PDSP,BindingDB
Ki2818.38 nMPMID7984267PDSP,BindingDB

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