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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

NameCHEMBL102292
Molecular formulaC16H23N5O
IUPAC name1-ethyl-3-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]urea
Molecular weight301.394
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP1.4
Synonyms1-Ethyl-3-[3-(1-methyl-piperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-urea
BDBM50130422
KDSSRYODOUSZPU-UHFFFAOYSA-N
N-[ethyl]-N'-[3-(1-methylpiperidin-4-yl)pyrrolo[3,2-b]pyridin-5-yl]urea
N-[ethyl]-N'-[3-(1-methylpiperidin-4yl)pyrrolo[3,2-b]pyridin-5-yl]urea
[ Show all ]
Inchi KeyKDSSRYODOUSZPU-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H23N5O/c1-3-17-16(22)20-14-5-4-13-15(19-14)12(10-18-13)11-6-8-21(2)9-7-11/h4-5,10-11,18H,3,6-9H2,1-2H3,(H2,17,19,20,22)
PubChem CID11808793
ChEMBLCHEMBL102292
IUPHARN/A
BindingDB50130422
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki3.8 nMPMID12825944BindingDB,ChEMBL

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