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GPCR

Name5-hydroxytryptamine receptor 1F
SpeciesHomo sapiens (Human)
GeneHTR1F
Synonym5-hydroxytryptamine (serotonin) receptor 1F, G protein-coupled
serotonin receptor 1F
5-HT-1F
5-HT1Ebeta
HTR1EL
[ Show all ]
DiseaseMigraine
Length366
Amino acid sequenceMDFLNSSDQNLTSEELLNRMPSKILVSLTLSGLALMTTTINSLVIAAIIVTRKLHHPANYLICSLAVTDFLVAVLVMPFSIVYIVRESWIMGQVVCDIWLSVDITCCTCSILHLSAIALDRYRAITDAVEYARKRTPKHAGIMITIVWIISVFISMPPLFWRHQGTSRDDECIIKHDHIVSTIYSTFGAFYIPLALILILYYKIYRAAKTLYHKRQASRIAKEEVNGQVLLESGEKSTKSVSTSYVLEKSLSDPSTDFDKIHSTVRSLRSEFKHEKSWRRQKISGTRERKAATTLGLILGAFVICWLPFFVKELVVNVCDKCKISEEMSNFLAWLGYLNSLINPLIYTIFNEDFKKAFQKLVRCRC
UniProtP30939
Protein Data BankN/A
GPCR-HGmod modelP30939
3D structure modelThis predicted structure model is from GPCR-EXP P30939.
BioLiPN/A
Therapeutic Target DatabaseT78656
ChEMBLCHEMBL1805
IUPHAR5
DrugBankBE0000460, BE0004958

Ligand

NameCHEMBL177238
Molecular formulaC20H19ClFN3O2
IUPAC name2-chloro-4-fluoro-N-[3-(1-methylpiperidin-4-yl)furo[3,2-b]pyridin-5-yl]benzamide
Molecular weight387.839
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.8
SynonymsBDBM50137538
2-Chloro-4-fluoro-N-[3-(1-methyl-piperidin-4-yl)-furo[3,2-b]pyridin-5-yl]-benzamide
N-[3-(1-Methyl-4-piperidinyl)furo[3,2-b]pyridine-5-yl]-2-chloro-4-fluorobenzamide
Inchi KeyIWNPMSHFWIZUSM-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H19ClFN3O2/c1-25-8-6-12(7-9-25)15-11-27-17-4-5-18(23-19(15)17)24-20(26)14-3-2-13(22)10-16(14)21/h2-5,10-12H,6-9H2,1H3,(H,23,24,26)
PubChem CID44387174
ChEMBLCHEMBL177238
IUPHARN/A
BindingDB50137538
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50277.0 nMPMID14684321BindingDB,ChEMBL
Ki3.0 nMPMID14684321BindingDB,ChEMBL

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