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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

NameCHEMBL105478
Molecular formulaC22H25FN4O
IUPAC name4-fluoro-N-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
Molecular weight380.467
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.8
SynonymsSCHEMBL7013668
AGNQRCZHJFDENL-UHFFFAOYSA-N
BDBM50130474
4-Fluoro-N-[3-(1-propyl-piperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-benzamide
5-(N-[4-fluorobenzoyl]amino)-3-(1-propylpiperidin-4-yl)pyrrolo[3,2-b]pyridine
Inchi KeyAGNQRCZHJFDENL-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H25FN4O/c1-2-11-27-12-9-15(10-13-27)18-14-24-19-7-8-20(25-21(18)19)26-22(28)16-3-5-17(23)6-4-16/h3-8,14-15,24H,2,9-13H2,1H3,(H,25,26,28)
PubChem CID10959868
ChEMBLCHEMBL105478
IUPHARN/A
BindingDB50130474
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki18.0 nMPMID12825944BindingDB,ChEMBL

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