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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

NameCHEMBL102182
Molecular formulaC27H27FN4O
IUPAC name4-fluoro-N-[3-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
Molecular weight442.538
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.9
Synonyms4-Fluoro-N-[3-(1-phenethyl-piperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-benzamide
5-(N-[4-fluorobenzoyl]amino)-3-(1-(2-phenyleth-1-yl)piperidin-4-yl)pyrrolo[3,2-b]pyridine
BDBM50130425
KSMURUARAUFRFH-UHFFFAOYSA-N
SCHEMBL7011273
Inchi KeyKSMURUARAUFRFH-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H27FN4O/c28-22-8-6-21(7-9-22)27(33)31-25-11-10-24-26(30-25)23(18-29-24)20-13-16-32(17-14-20)15-12-19-4-2-1-3-5-19/h1-11,18,20,29H,12-17H2,(H,30,31,33)
PubChem CID10873909
ChEMBLCHEMBL102182
IUPHARN/A
BindingDB50130425
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki75.0 nMPMID12825944BindingDB,ChEMBL

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