SEQ2FUN

BioLiP

PDB CCD ID: 72U
Number of entries in BioLiP: 2
Chemical formula: C10 H7 N O4
InChI: InChI=1S/C10H7NO4/c1-15-10(14)6-4-2-3-5-7(6)11-9(13)8(5)12/h2-4H,1H3,(H,11,12,13)
InChIKey: BKMLLFWFPNUDNF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COC(=O)c1cccc2C(=O)C(=O)Nc12
OpenEye OEToolkits 2.0.5COC(=O)c1cccc2c1NC(=O)C2=O
Name:methyl 2,3-bis(oxidanylidene)-1~{H}-indole-7-carboxylate
ChEMBL: CHEMBL1570589
ZINC: ZINC000002332288
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).