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BioLiP

PDB CCD ID: KDX
Number of entries in BioLiP: 3
Chemical formula: C11 H9 N3 O2
InChI: InChI=1S/C11H9N3O2/c1-16-7-4-2-3-6-8(7)9-10(14-6)11(15)13-5-12-9/h2-5,14H,1H3,(H,12,13,15)
InChIKey: LQIHYZDCTRTCLG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1cccc2[nH]c3C(=O)NC=Nc3c12
OpenEye OEToolkits 2.0.7COc1cccc2c1c3c([nH]2)C(=O)NC=N3
ACDLabs 12.01COc1cccc2[NH]c3c(N=CNC3=O)c21
Name:9-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
ChEMBL: CHEMBL1592850
ZINC: ZINC000017198487
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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