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BioLiP Library

PDB CCD ID: 7NE
Number of entries in BioLiP: 1
Chemical formula: C17 H15 N O4
InChI: InChI=1S/C17H15NO4/c1-2-21-17(20)15-14(19)10-22-16(15)18-13-8-7-11-5-3-4-6-12(11)9-13/h3-9,18H,2,10H2,1H3
InChIKey: KDQAZKWASGPNFD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCOC(=O)C1=C(Nc2ccc3ccccc3c2)OCC1=O
OpenEye OEToolkits 2.0.7CCOC(=O)C1=C(OCC1=O)Nc2ccc3ccccc3c2
Name:ethyl 2-(naphthalen-2-ylamino)-4-oxidanylidene-furan-3-carboxylate
ChEMBL: CHEMBL2431496
ZINC: ZINC000101701041
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)(download the PDF file).
  • 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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