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BioLiP

PDB CCD ID: 794
Number of entries in BioLiP: 1
Chemical formula: C19 H13 N O5
InChI: InChI=1S/C19H13NO5/c21-17(19(24)25)20(16-10-4-3-9-14(16)18(22)23)15-11-5-7-12-6-1-2-8-13(12)15/h1-11H,(H,22,23)(H,24,25)
InChIKey: WQWCUHJIERBOSM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc2c(c1)cccc2N(c3ccccc3C(=O)O)C(=O)C(=O)O
CACTVS 3.341OC(=O)C(=O)N(c1ccccc1C(O)=O)c2cccc3ccccc23
ACDLabs 10.04O=C(N(c2c1ccccc1ccc2)c3ccccc3C(=O)O)C(=O)O
Name:2-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACID;
COMPOUND 5;
2-(NAPHTHALEN-1-YL-OXALYL-AMINO)-BENZOIC ACID
ChEMBL: CHEMBL64934
DrugBank: DB03982
ZINC: ZINC000002047608
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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