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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

NameCHEMBL88152
Molecular formulaC17H22N4O
IUPAC nameN-(3,4-dihydro-2H-chromen-2-ylmethyl)-N'-pyrazin-2-ylpropane-1,3-diamine
Molecular weight298.39
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.7
SynonymsBDBM50403500
Inchi KeyAYEIBIYQJYHJIA-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H22N4O/c1-2-5-16-14(4-1)6-7-15(22-16)12-18-8-3-9-20-17-13-19-10-11-21-17/h1-2,4-5,10-11,13,15,18H,3,6-9,12H2,(H,20,21)
PubChem CID44323231
ChEMBLCHEMBL88152
IUPHARN/A
BindingDB50403500
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5010.0 nM, Bioorg. Med. Chem. Lett., (1995) 5:22:2649BindingDB,ChEMBL

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