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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

NameCHEMBL509314
Molecular formulaC51H60F2N6O2
IUPAC name4-fluoro-N-[3-[1-[11-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]undecyl]piperidin-4-yl]-1H-indol-5-yl]benzamide
Molecular weight827.078
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP11.0
SynonymsBDBM50271022
4-fluoro-N-(3-{1-[11-(4-{5-[(4-fluorobenzene)amido]-1H-indol-3-yl}piperidin-1-yl)undecyl]piperidin-4-yl}-1H-indol-5-yl)benzamide
Inchi KeyBDDIKRUDYSMKIW-UHFFFAOYSA-N
Inchi IDInChI=1S/C51H60F2N6O2/c52-40-14-10-38(11-15-40)50(60)56-42-18-20-48-44(32-42)46(34-54-48)36-22-28-58(29-23-36)26-8-6-4-2-1-3-5-7-9-27-59-30-24-37(25-31-59)47-35-55-49-21-19-43(33-45(47)49)57-51(61)39-12-16-41(53)17-13-39/h10-21,32-37,54-55H,1-9,22-31H2,(H,56,60)(H,57,61)
PubChem CID24881619
ChEMBLCHEMBL509314
IUPHARN/A
BindingDB50271022
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki13.0 nMPMID18507369PDSP,BindingDB,ChEMBL

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