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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

NameCHEMBL178066
Molecular formulaC20H22FN3O
IUPAC nameN-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-indol-5-yl]-4-fluorobenzamide
Molecular weight339.414
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.7
SynonymsSCHEMBL7143303
BDBM50137542
L020893
N-[2-Methyl-3-[2-(dimethylamino)ethyl]-1H-indole-5-yl]-4-fluorobenzamide
N-[3-(2-dimethylamin-oethyl)-2-methyl-1h-indol-5-yl]-4-fluorobenzamide
[ Show all ]
Inchi KeyIIHVBDVYBDSPPU-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H22FN3O/c1-13-17(10-11-24(2)3)18-12-16(8-9-19(18)22-13)23-20(25)14-4-6-15(21)7-5-14/h4-9,12,22H,10-11H2,1-3H3,(H,23,25)
PubChem CID9840850
ChEMBLCHEMBL178066
IUPHARN/A
BindingDB50137542
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki8.2 nMPMID14684321BindingDB,ChEMBL

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