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BioLiP

PDB CCD ID: QB3
Number of entries in BioLiP: 0
Chemical formula: C16 H21 N3 O3
InChI: InChI=1S/C16H21N3O3/c1-19-5-3-11(4-6-19)9-22-15-8-13-12(7-14(15)21-2)16(20)18-10-17-13/h7-8,10-11H,3-6,9H2,1-2H3,(H,17,18,20)
InChIKey: JXVISOHOJNTGTD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)O
CACTVS 3.385COc1cc2c(O)ncnc2cc1OCC3CCN(C)CC3
ACDLabs 12.01CN1CCC(COc2cc3ncnc(O)c3cc2OC)CC1
Name:6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-ol
ZINC: ZINC000095830035
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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