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BioLiP

PDB CCD ID: PYC
Number of entries in BioLiP: 24
Chemical formula: C5 H4 N O2
InChI: InChI=1S/C5H5NO2/c7-5(8)4-2-1-3-6-4/h1-3,6H,(H,7,8)/p-1
InChIKey: WRHZVMBBRYBTKZ-UHFFFAOYSA-M
SMILES:
SoftwareSMILES
CACTVS 3.341[O-]C(=O)c1[nH]ccc1
ACDLabs 10.04[O-]C(=O)c1cccn1
OpenEye OEToolkits 1.5.0c1cc([nH]c1)C(=O)[O-]
Name:PYRROLE-2-CARBOXYLATE
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).
  • 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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