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BioLiP

PDB CCD ID: 338
Number of entries in BioLiP: 2
Chemical formula: C17 H11 N O3
InChI: InChI=1S/C17H11NO3/c19-10-7-8-14-16(9-10)21-17(18-14)13-5-1-4-12-11(13)3-2-6-15(12)20/h1-9,19-20H
InChIKey: JHOZVRGNIYFYHE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Oc1ccc2nc(oc2c1)c3cccc4c(O)cccc34
ACDLabs 10.04n1c4ccc(O)cc4oc1c3c2cccc(O)c2ccc3
OpenEye OEToolkits 1.5.0c1cc2c(cccc2O)c(c1)c3nc4ccc(cc4o3)O
Name:2-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3-BENZOOXAZOL-6-OL
ChEMBL: CHEMBL185918
DrugBank: DB07009
ZINC: ZINC000003817711
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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