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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

NameCHEMBL76552
Molecular formulaC18H27N5O
IUPAC name1-heptyl-2-[(E)-(5-hydroxy-1H-indol-3-yl)methylideneamino]-1-methylguanidine
Molecular weight329.448
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP3.7
SynonymsSCHEMBL7384184
Inchi KeyBCUWYGBYMHYDRM-FYJGNVAPSA-N
Inchi IDInChI=1S/C18H27N5O/c1-3-4-5-6-7-10-23(2)18(19)22-21-13-14-12-20-17-9-8-15(24)11-16(14)17/h8-9,11-13,20,24H,3-7,10H2,1-2H3,(H2,19,22)/b21-13+
PubChem CID135516796
ChEMBLCHEMBL76552
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki870.96 nMPMID7608899ChEMBL

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