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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

NameCHEMBL369391
Molecular formulaC19H20FN3O2
IUPAC nameN-[3-[2-(dimethylamino)ethyl]-2-methylfuro[3,2-b]pyridin-5-yl]-4-fluorobenzamide
Molecular weight341.386
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.3
SynonymsBDBM50137537
L020043
N-[2-Methyl-3-[2-(dimethylamino)ethyl]furo[3,2-b]pyridine-5-yl]-4-fluorobenzamide
N-[3-(2-Dimethylamino-ethyl)-2-methyl-furo[3,2-b]pyridin-5-yl]-4-fluoro-benzamide
Inchi KeyGQSPCQAPLIPSQV-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H20FN3O2/c1-12-15(10-11-23(2)3)18-16(25-12)8-9-17(21-18)22-19(24)13-4-6-14(20)7-5-13/h4-9H,10-11H2,1-3H3,(H,21,22,24)
PubChem CID10991464
ChEMBLCHEMBL369391
IUPHARN/A
BindingDB50137537
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki13.5 nMPMID14684321ChEMBL
Ki14.0 nMPMID14684321BindingDB

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