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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

NameCHEMBL186951
Molecular formulaC20H22ClFN4O
IUPAC name2-chloro-4-fluoro-N-[3-(1-methylpiperidin-4-yl)-1,2-dihydrobenzimidazol-5-yl]benzamide
Molecular weight388.871
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.1
SynonymsBDBM50156403
2-Chloro-4-fluoro-N-[3-(1-methyl-piperidin-4-yl)-2,3-dihydro-1H-benzoimidazol-5-yl]-benzamide
Inchi KeyHORYMJPSJIHJTK-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H22ClFN4O/c1-25-8-6-15(7-9-25)26-12-23-18-5-3-14(11-19(18)26)24-20(27)16-4-2-13(22)10-17(16)21/h2-5,10-11,15,23H,6-9,12H2,1H3,(H,24,27)
PubChem CID44395930
ChEMBLCHEMBL186951
IUPHARN/A
BindingDB50156403
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5063.0 nMPMID15546719BindingDB,ChEMBL
Emax98.0 %PMID15546719ChEMBL
Ki13.0 nMPMID15546719BindingDB,ChEMBL

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