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BioLiP

PDB CCD ID: IWS
Number of entries in BioLiP: 4
Chemical formula: C10 H7 N3 O
InChI: InChI=1S/C10H7N3O/c14-10-12-8-4-2-1-3-7(8)9-11-5-6-13(9)10/h1-6H,(H,12,14)
InChIKey: LINBAKANHINCIC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C1Nc2ccccc2c2nccn21
OpenEye OEToolkits 2.0.7c1ccc2c(c1)-c3nccn3C(=O)N2
CACTVS 3.385O=C1Nc2ccccc2c3nccn13
Name:(4R,10aP)-imidazo[1,2-c]quinazolin-5(6H)-one
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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