SEQ2FUN

BioLiP

PDB CCD ID: 1K5
Number of entries in BioLiP: 4
Chemical formula: C15 H11 N O3
InChI: InChI=1S/C15H11NO3/c17-14(18)9-16-12-7-3-1-5-10(12)15(19)11-6-2-4-8-13(11)16/h1-8H,9H2,(H,17,18)
InChIKey: UOMKBIIXHQIERR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370OC(=O)CN1c2ccccc2C(=O)c3ccccc13
OpenEye OEToolkits 1.7.6c1ccc2c(c1)C(=O)c3ccccc3N2CC(=O)O
ACDLabs 12.01O=C(O)CN3c1ccccc1C(=O)c2c3cccc2
Name:(9-oxoacridin-10(9H)-yl)acetic acid
ChEMBL: CHEMBL1569545
DrugBank: DB13674
ZINC: ZINC000003878688
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).