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GPCR

Name5-hydroxytryptamine receptor 1F
SpeciesRattus norvegicus (Rat)
GeneHtr1f
SynonymHTR1EL
5-hydroxytryptamine (serotonin) receptor 1F, G protein-coupled
5-HT6
5-HT1F receptor
5-HT1F
[ Show all ]
DiseaseN/A for non-human GPCRs
Length366
Amino acid sequenceMDFLNSSDQNLTSEELLNRMPSKILVSLTLSGLALMTTTINCLVITAIIVTRKLHHPANYLICSLAVTDFLVAVLVMPFSIVYIVRESWIMGQGLCDLWLSVDIICCTCSILHLSAIALDRYRAITDAVEYARKRTPRHAGITITTVWVISVFISVPPLFWRHQGNSRDDQCIIKHDHIVSTIYSTFGAFYIPLVLILILYYKIYRAARTLYHKRQASRMIKEELNGQVLLESGEKSIKLVSTSYMLEKSLSDPSTDFDRIHSTVKSPRSELKHEKSWRRQKISGTRERKAATTLGLILGAFVICWLPFFVKELVVNICEKCKISEEMSNFLAWLGYLNSLINPLIYTIFNEDFKKAFQKLVRCRN
UniProtP30940
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4646
IUPHAR5
DrugBankN/A

Ligand

NameA-131701
Molecular formulaC24H24N4O3S
IUPAC name5-[2-[(3aR,9bR)-6-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl]ethyl]-8-thia-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione
Molecular weight448.541
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.2
SynonymsBDBM50060965
2-[2-((3aR,9bR)-6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-4H-9-thia-2,4,5-triaza-fluorene-1,3-dione
D0L5TJ
2-[2-((3aR,9bR)-6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-4H-9-thia-2,4,6-triaza-fluorene-1,3-dione
SCHEMBL7637490
[ Show all ]
Inchi KeyOLPQNRLJYOGSGV-WMLDXEAASA-N
Inchi IDInChI=1S/C24H24N4O3S/c1-31-18-5-2-4-15-16(18)8-7-14-12-27(13-17(14)15)10-11-28-23(29)22-21(26-24(28)30)20-19(32-22)6-3-9-25-20/h2-6,9,14,17H,7-8,10-13H2,1H3,(H,26,30)/t14-,17+/m0/s1
PubChem CID10527469
ChEMBLCHEMBL40650
IUPHARN/A
BindingDB50060965
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki3380.0 nMPMID9379432BindingDB,ChEMBL

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