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GPCR

Name5-hydroxytryptamine receptor 1D
SpeciesMus musculus (Mouse)
GeneHtr1d
SynonymHTRL
Htr1db
HT1DA
Gpcr14
5-HT-1D
[ Show all ]
DiseaseN/A for non-human GPCRs
Length374
Amino acid sequenceMSPPNQSLEGLPQEASNRSLNVTGAWDPEVLQALRISLVVVLSVITLATVLSNAFVLTTILLTKKLHTPANYLIGSLATTDLLVSILVMPISIAYTTTRTWNFGQILCDIWVSSDITCCTASILHLCVIALDRYWAITDALEYSKRRTAGHAAAMIAAVWIISICISIPPLFWRQATAHEEMSDCLVNTSQISYTIYSTCGAFYIPSILLIILYGRIYVAARSRILNPPSLYGKRFTTAQLITGSAGSSLCSLNPSLHESHTHTVGSPLFFNQVKIKLADSILERKRISAARERKATKTLGIILGAFIICWLPFFVVSLVLPICRDSCWIHPALFDFFTWLGYLNSLINPVIYTVFNEDFRQAFQKVVHFRKIS
UniProtQ61224
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4297
IUPHARN/A
DrugBankN/A

Ligand

NameTonabersat
Molecular formulaC20H19ClFNO4
IUPAC nameN-[(3S,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-chloro-4-fluorobenzamide
Molecular weight391.823
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.9
SynonymsSB-220453;SB 220453;SB220453
USL-260
5-HT1d agonist (migraine), Minster
CHEMBL318191
MolPort-003-850-578
[ Show all ]
Inchi KeyXLIIRNOPGJTBJD-ROUUACIJSA-N
Inchi IDInChI=1S/C20H19ClFNO4/c1-10(24)11-5-7-16-13(8-11)17(18(25)20(2,3)27-16)23-19(26)12-4-6-15(22)14(21)9-12/h4-9,17-18,25H,1-3H3,(H,23,26)/t17-,18-/m0/s1
PubChem CID6918324
ChEMBLCHEMBL318191
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Increase143.0 %PMID10021946ChEMBL
Increase1192.0 %PMID10021946ChEMBL

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