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GPCR

Name5-hydroxytryptamine receptor 1D
SpeciesHomo sapiens (Human)
GeneHTR1D
SynonymSerotonin 1D alpha receptor
serotonin receptor 1D
HTRL
Htr1db
5-HT-1D
[ Show all ]
DiseaseAcute migraine
Epilepsy
Migraine headaches
Mood disorder
Migraine
[ Show all ]
Length377
Amino acid sequenceMSPLNQSAEGLPQEASNRSLNATETSEAWDPRTLQALKISLAVVLSVITLATVLSNAFVLTTILLTRKLHTPANYLIGSLATTDLLVSILVMPISIAYTITHTWNFGQILCDIWLSSDITCCTASILHLCVIALDRYWAITDALEYSKRRTAGHAATMIAIVWAISICISIPPLFWRQAKAQEEMSDCLVNTSQISYTIYSTCGAFYIPSVLLIILYGRIYRAARNRILNPPSLYGKRFTTAHLITGSAGSSLCSLNSSLHEGHSHSAGSPLFFNHVKIKLADSALERKRISAARERKATKILGIILGAFIICWLPFFVVSLVLPICRDSCWIHPALFDFFTWLGYLNSLINPIIYTVFNEEFRQAFQKIVPFRKAS
UniProtP28221
Protein Data BankN/A
GPCR-HGmod modelP28221
3D structure modelThis predicted structure model is from GPCR-EXP P28221.
BioLiPN/A
Therapeutic Target DatabaseT11072
ChEMBLCHEMBL1983
IUPHAR3
DrugBankBE0000659

Ligand

Nameserotonin
Molecular formulaC10H12N2O
IUPAC name3-(2-aminoethyl)-1H-indol-5-ol
Molecular weight176.219
Hydrogen bond acceptor2
Hydrogen bond donor3
XlogP0.2
SynonymsNCGC00015525-07
BDBM10755
Oprea1_712368
BPBio1_000377
SCHEMBL1495
[ Show all ]
Inchi KeyQZAYGJVTTNCVMB-UHFFFAOYSA-N
Inchi IDInChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
PubChem CID5202
ChEMBLCHEMBL39
IUPHAR5
BindingDB10755
DrugBankDB08839

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
ED501.2 nMPMID8071931ChEMBL
IA1.0 -PMID15887956ChEMBL
IC503.0 nM, PMID2374139, Bioorg. Med. Chem. Lett., (1995) 5:20:2391BindingDB,ChEMBL
Ki0.5 nMPMID18507369BindingDB
Ki0.5 nMPMID18507369PDSP,ChEMBL
Ki1.0 - 10.0 nMPMID10431754, PMID1565658, PMID9208142, PMID9776361, PMID8957260, PMID8967979, PMID1652050IUPHAR
Ki1.2 nMPeroutka et al., PMID1989PDSP
Ki1.7 nMPMID8568822BindingDB,ChEMBL
Ki2.0 nMPMID9986723BindingDB,ChEMBL
Ki2.08 nMPMID7984267PDSP,BindingDB
Ki2.1 nMPMID1652050PDSP,BindingDB
Ki3.0 nMPMID2299641BindingDB,ChEMBL
Ki3.38 nMPMID9776361PDSP,BindingDB
Ki3.4 nMPMID9303569PDSP,BindingDB
Ki3.89 nMPMID7984267PDSP,BindingDB
Ki3.98 nMPMID9303567PDSP,BindingDB
Ki4.3 nMPMID1565658PDSP,BindingDB
Ki4.8 nMPMID7658447BindingDB,ChEMBL
Ki5.06 nMPMID8960551, PMID9871775BindingDB,ChEMBL
Ki5.1 nMPMID9871775BindingDB
Ki5.5 nMPMID8071931BindingDB,ChEMBL
Ki6.46 nMWaeber et al., PMID1988PDSP
Ki8.9 nMPMID1652050PDSP,BindingDB
Ki8.91 nMPMID7984267PDSP,BindingDB
pKD7.9 -PMID8515429ChEMBL
Selectivity0.4 -PMID8568822ChEMBL

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