SEQ2FUN

BioLiP

PDB CCD ID: PKN
Number of entries in BioLiP: 5
Chemical formula: C5 H5 N O2
InChI: InChI=1S/C5H5NO2/c7-5(8)4-1-2-6-3-4/h1-3,6H,(H,7,8)
InChIKey: DOYOPBSXEIZLRE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c[nH]cc1C(=O)O
CACTVS 3.385OC(=O)c1c[nH]cc1
ACDLabs 12.01O=C(O)c1cc[NH]c1
Name:1H-pyrrole-3-carboxylic acid
ChEMBL: CHEMBL79155
ZINC: ZINC000002570110
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).