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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

NameCHEMBL303021
Molecular formulaC18H25ClN2
IUPAC name1-chloro-N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine
Molecular weight304.862
Hydrogen bond acceptor1
Hydrogen bond donor1
XlogP5.2
Synonyms(1-Chloro-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-yl)-dipropyl-amine
1-Chloro-N,N-dipropyl-6,7,8,9-tetrahydro-3H-benz[e]indol-8-amine
BDBM50035306
SCHEMBL8314559
Inchi KeyAXWVKOPRBOVXMC-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H25ClN2/c1-3-9-21(10-4-2)14-7-5-13-6-8-17-18(15(13)11-14)16(19)12-20-17/h6,8,12,14,20H,3-5,7,9-11H2,1-2H3
PubChem CID11779840
ChEMBLCHEMBL303021
IUPHARN/A
BindingDB50035306
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki23.0 nMPMID7783152BindingDB,ChEMBL

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