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BioLiP Library

PDB CCD ID: W5H
Number of entries in BioLiP: 1
Chemical formula: C7 H9 N O2
InChI: InChI=1S/C7H9NO2/c1-8-4-2-3-6(8)5-7(9)10/h2-4H,5H2,1H3,(H,9,10)
InChIKey: SYYOUHJJSOLSJD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cn1cccc1CC(=O)O
CACTVS 3.385Cn1cccc1CC(O)=O
ACDLabs 12.01OC(=O)Cc1cccn1C
Name:(1-methyl-1H-pyrrol-2-yl)acetic acid
ZINC: ZINC000005783630
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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