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BioLiP Library

PDB CCD ID: 9F8
Number of entries in BioLiP: 3
Chemical formula: C12 H13 N O2
InChI: InChI=1S/C12H13NO2/c1-9-8-13(7-6-12(14)15)11-5-3-2-4-10(9)11/h2-5,8H,6-7H2,1H3,(H,14,15)
InChIKey: YJMBLVFDTDJZFE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1cn(CCC(O)=O)c2ccccc12
OpenEye OEToolkits 2.0.6Cc1cn(c2c1cccc2)CCC(=O)O
Name:3-(3-methylindol-1-yl)propanoic acid
ZINC: ZINC000000108223
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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