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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

NameCHEMBL318105
Molecular formulaC13H18N4
IUPAC name3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-amine
Molecular weight230.315
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP1.3
SynonymsSCHEMBL7007941
LAOHESRIMKGEEK-UHFFFAOYSA-N
BDBM50130462
ZINC13523619
5-amino-3-(1-methyl-piperidin-4yl)pyrrolo[3,2-b]pyridine
[ Show all ]
Inchi KeyLAOHESRIMKGEEK-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H18N4/c1-17-6-4-9(5-7-17)10-8-15-11-2-3-12(14)16-13(10)11/h2-3,8-9,15H,4-7H2,1H3,(H2,14,16)
PubChem CID10220230
ChEMBLCHEMBL318105
IUPHARN/A
BindingDB50130462
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki100.0 nMPMID12825944BindingDB,ChEMBL

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