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BioLiP

PDB CCD ID: PYQ
Number of entries in BioLiP: 5
Chemical formula: C11 H11 N O
InChI: InChI=1S/C11H11NO/c13-10-5-4-8-2-1-3-9-6-7-12(10)11(8)9/h1-3H,4-7H2
InChIKey: XRJLAOUDSILTFT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O=C1CCc2cccc3CCN1c23
OpenEye OEToolkits 1.5.0c1cc2c3c(c1)CCN3C(=O)CC2
ACDLabs 10.04O=C3N2c1c(cccc1CC2)CC3
Name:PYROQUILON;
1,2,5,6-TETRAHYDRO-4H-PYRROLO(3,2,1-IJ)QUINOLIN-4-ONE
ChEMBL: CHEMBL144366
DrugBank: DB02756
ZINC: ZINC000000173360
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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