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BioLiP

PDB CCD ID: AV6
Number of entries in BioLiP: 1
Chemical formula: C17 H14 N2 O2
InChI: InChI=1S/C17H14N2O2/c20-14-8-7-11(9-15(14)21)17-18-12-5-1-3-10-4-2-6-13(19-17)16(10)12/h1-9,17-21H
InChIKey: RBGFUFBYYJRGBW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1c1cc2cccc3c2c(c1)NC(N3)c4ccc(c(c4)O)O
ACDLabs 12.01N=3c2cccc1cccc(c12)NC=3c4ccc(O)c(O)c4
CACTVS 3.352Oc1ccc(cc1O)C2Nc3cccc4cccc(N2)c34
Name:4-(2,3-dihydro-1H-perimidin-2-yl)benzene-1,2-diol;
4-{2,4-DIAZATRICYCLO[7.3.1.0]TRIDECA- 1(12),5,7,9(13),10-PENTAEN-3-YL}BENZENE-1,2-DIOL
ChEMBL: CHEMBL1822156
ZINC: ZINC000000232252
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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