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BioLiP

PDB CCD ID: PW2
Number of entries in BioLiP: 9
Chemical formula: C19 H16 N2 O5
InChI: InChI=1S/C19H16N2O5/c1-26-15-5-4-11-6-12(2-3-13(11)7-15)14-8-16(22)18(20-9-14)19(25)21-10-17(23)24/h2-9,22H,10H2,1H3,(H,21,25)(H,23,24)
InChIKey: PJNFXXUNCQIGBZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccc2cc(ccc2c1)c3cnc(c(O)c3)C(=O)NCC(O)=O
OpenEye OEToolkits 2.0.7COc1ccc2cc(ccc2c1)c3cc(c(nc3)C(=O)NCC(=O)O)O
Name:2-[[5-(6-methoxynaphthalen-2-yl)-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid
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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