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BioLiP

PDB CCD ID: JBH
Number of entries in BioLiP: 2
Chemical formula: C8 H8 N2 O
InChI: InChI=1S/C8H8N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5,8,11H,(H,9,10)/t8-/m1/s1
InChIKey: RFXUVQZRJWPTLS-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O[C@H]1NC=Nc2ccccc12
CACTVS 3.385O[CH]1NC=Nc2ccccc12
OpenEye OEToolkits 2.0.7c1ccc2c(c1)C(NC=N2)O
Name:3,4-dihydroquinazolin-4-ol
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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