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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

NameCHEMBL2112317
Molecular formulaC27H39N3O4
IUPAC name(8S)-8-[4-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)butyl-propylamino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde;hydrate
Molecular weight469.626
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogPNone
SynonymsBDBM50453697
Inchi KeyCHUHEUVYBZLIPW-BOXHHOBZSA-N
Inchi IDInChI=1S/C27H37N3O3.H2O/c1-4-11-29(12-5-6-13-30-24(32)15-27(2,3)16-25(30)33)21-9-7-19-8-10-23-26(22(19)14-21)20(18-31)17-28-23;/h8,10,17-18,21,28H,4-7,9,11-16H2,1-3H3;1H2/t21-;/m0./s1
PubChem CID71452688
ChEMBLCHEMBL2112317
IUPHARN/A
BindingDB50453697
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
Ki250.0 nMPMID7783153BindingDB,ChEMBL

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