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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

BioLiP

PDB CCD ID: A1AER
Number of entries in BioLiP: 5
Chemical formula: C11 H8 F N5
InChI: InChI=1S/C11H8FN5/c12-8-2-3-9-7(6-13-10(9)5-8)1-4-11-14-16-17-15-11/h1-6,13H,(H,14,15,16,17)
InChIKey: JDBSZVDIUIRSDG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2c(cc1F)[nH]cc2C=Cc3[nH]nnn3
OpenEye OEToolkits 2.0.7c1cc2c(cc1F)[nH]cc2/C=C/c3[nH]nnn3
CACTVS 3.385Fc1ccc2c([nH]cc2\C=C\c3[nH]nnn3)c1
CACTVS 3.385Fc1ccc2c([nH]cc2C=Cc3[nH]nnn3)c1
ACDLabs 12.01Fc1cc2[NH]cc(/C=C/c3nnn[NH]3)c2cc1
Name:6-fluoro-3-[(E)-2-(1H-tetrazol-5-yl)ethenyl]-1H-indole

Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).
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