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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

NameCHEMBL420475
Molecular formulaC18H24N4O
IUPAC nameN-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclobutanecarboxamide
Molecular weight312.417
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.2
Synonyms5-(N-[cyclobutanecarbonyl]amino)-3-(1-methylpiperidin-4-yl)pyrrolo[3,2-b]pyridine
BDBM50130433
CGNOEAKWDFGWNP-UHFFFAOYSA-N
Cyclobutanecarboxylic acid [3-(1-methyl-piperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-amide
SCHEMBL7014587
Inchi KeyCGNOEAKWDFGWNP-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H24N4O/c1-22-9-7-12(8-10-22)14-11-19-15-5-6-16(20-17(14)15)21-18(23)13-3-2-4-13/h5-6,11-13,19H,2-4,7-10H2,1H3,(H,20,21,23)
PubChem CID10946905
ChEMBLCHEMBL420475
IUPHARN/A
BindingDB50130433
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5021.0 nMPMID12825944BindingDB,ChEMBL
Emax81.0 %PMID12825944ChEMBL
Ki8.7 nMPMID12825944BindingDB,ChEMBL

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