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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

NameCHEMBL187581
Molecular formulaC20H21F3N4O
IUPAC name2,4,6-trifluoro-N-[3-(1-methylpiperidin-4-yl)-1,2-dihydrobenzimidazol-5-yl]benzamide
Molecular weight390.41
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.6
SynonymsBDBM50156408
2,4,6-Trifluoro-N-[3-(1-methyl-piperidin-4-yl)-2,3-dihydro-1H-benzoimidazol-5-yl]-benzamide
Inchi KeyBBYIBACYQLBDSC-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H21F3N4O/c1-26-6-4-14(5-7-26)27-11-24-17-3-2-13(10-18(17)27)25-20(28)19-15(22)8-12(21)9-16(19)23/h2-3,8-10,14,24H,4-7,11H2,1H3,(H,25,28)
PubChem CID44395925
ChEMBLCHEMBL187581
IUPHARN/A
BindingDB50156408
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5050.0 nMPMID15546719BindingDB,ChEMBL
Emax95.0 %PMID15546719ChEMBL
Ki17.0 nMPMID15546719BindingDB,ChEMBL

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