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BioLiP

PDB CCD ID: 4P5
Number of entries in BioLiP: 4
Chemical formula: C7 H5 N O3
InChI: InChI=1S/C7H5NO3/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)
InChIKey: MMAIBGHDBYQYDI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(=O)c1[nH]c2ccoc2c1
ACDLabs 10.04O=C(O)c2cc1occc1n2
OpenEye OEToolkits 1.5.0c1coc2c1[nH]c(c2)C(=O)O
Name:4H-furo[3,2-b]pyrrole-5-carboxylic acid
ChEMBL: CHEMBL492591
ZINC: ZINC000004234975
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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