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BioLiP

PDB CCD ID: 761
Number of entries in BioLiP: 1
Chemical formula: C13 H9 N O5
InChI: InChI=1S/C13H9NO5/c15-11(13(18)19)14-10-6-8-4-2-1-3-7(8)5-9(10)12(16)17/h1-6H,(H,14,15)(H,16,17)(H,18,19)
InChIKey: DQBLKSRRWDWNKQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(=O)C(=O)Nc1cc2ccccc2cc1C(O)=O
OpenEye OEToolkits 1.5.0c1ccc2cc(c(cc2c1)C(=O)O)NC(=O)C(=O)O
ACDLabs 10.04O=C(O)C(=O)Nc2c(cc1c(cccc1)c2)C(=O)O
Name:3-(OXALYL-AMINO)-NAPHTHALENE-2-CARBOXYLIC ACID
ChEMBL: CHEMBL383570
DrugBank: DB01734
ZINC: ZINC000002007904
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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