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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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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

NameCHEMBL361303
Molecular formulaC21H22FN3O
IUPAC name4-fluoro-N-[1-(1-methylpiperidin-4-yl)indol-6-yl]benzamide
Molecular weight351.425
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.4
Synonyms823191-52-2
CTK3E1015
DTXSID70658719
BDBM50156407
AKOS030578067
[ Show all ]
Inchi KeyDKDSMUOEMDNPTM-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H22FN3O/c1-24-11-9-19(10-12-24)25-13-8-15-4-7-18(14-20(15)25)23-21(26)16-2-5-17(22)6-3-16/h2-8,13-14,19H,9-12H2,1H3,(H,23,26)
PubChem CID44395832
ChEMBLCHEMBL361303
IUPHARN/A
BindingDB50156407
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki2.2 nMPMID15546719BindingDB,ChEMBL

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