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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

NameCHEMBL116448
Molecular formulaC18H27BrN2O2S
IUPAC name1-[2-[(2R)-1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine
Molecular weight415.39
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.0
Synonyms(2R)-1-(3-Bromophenylsulfonyl)-2-[2-(4-methylpiperidino)ethyl]pyrrolidine
BDBM85610
SCHEMBL4298542
(R)-1-(2-(1-(3-bromo-benzenesulfonyl)-pyrrolidin-2-yl)-ethyl)-4-methyl piperidine
Inchi KeyJBIWUVRCMUOUNK-QGZVFWFLSA-N
Inchi IDInChI=1S/C18H27BrN2O2S/c1-15-7-11-20(12-8-15)13-9-17-5-3-10-21(17)24(22,23)18-6-2-4-16(19)14-18/h2,4,6,14-15,17H,3,5,7-13H2,1H3/t17-/m1/s1
PubChem CID10573876
ChEMBLCHEMBL116448
IUPHARN/A
BindingDB85610
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki>5011.87 nMPMID10669560ChEMBL
Ki5011.87 nMPMID10669560BindingDB

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