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BioLiP

PDB CCD ID: WY3
Number of entries in BioLiP: 1
Chemical formula: C14 H15 N O4
InChI: InChI=1S/C14H15NO4/c16-11-1-2-12-10(7-14(17)19-13(12)8-11)9-15-3-5-18-6-4-15/h1-2,7-8,16H,3-6,9H2
InChIKey: LLQWUZKGZZNBKG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc2c(cc1O)OC(=O)C=C2CN3CCOCC3
CACTVS 3.385Oc1ccc2C(=CC(=O)Oc2c1)CN3CCOCC3
Name:7-HYDROXY-4-(MORPHOLINOMETHYL)CHROMEN-2-ONE
ChEMBL: CHEMBL2104575
ZINC: ZINC000024177975
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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