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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

NameCHEMBL88207
Molecular formulaC18H23N3O
IUPAC nameN-(3,4-dihydro-2H-chromen-2-ylmethyl)-N'-pyridin-2-ylpropane-1,3-diamine
Molecular weight297.402
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.8
SynonymsBDBM50403508
Inchi KeyBHFRJLAPJAERKC-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H23N3O/c1-2-7-17-15(6-1)9-10-16(22-17)14-19-11-5-13-21-18-8-3-4-12-20-18/h1-4,6-8,12,16,19H,5,9-11,13-14H2,(H,20,21)
PubChem CID44323253
ChEMBLCHEMBL88207
IUPHARN/A
BindingDB50403508
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC505.0 nMN/ABindingDB
IC505.012 nMBioorg. Med. Chem. Lett., (1995) 5:22:2649ChEMBL

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