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BioLiP Library

PDB CCD ID: 609
Number of entries in BioLiP: 1
Chemical formula: C19 H10 N2 O3
InChI: InChI=1S/C19H10N2O3/c22-18-13-5-3-4-10-11(19(23)24)8-9-12(16(10)13)17-20-14-6-1-2-7-15(14)21(17)18/h1-9H,(H,23,24)
InChIKey: MYKOWOGZBMOVBJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)c5c3cccc4C(=O)n1c(nc2ccccc12)c(c34)cc5
OpenEye OEToolkits 1.5.0c1ccc2c(c1)nc-3n2C(=O)c4cccc5c4c3ccc5C(=O)O
CACTVS 3.341OC(=O)c1ccc2c3nc4ccccc4n3C(=O)c5cccc1c25
Name:7-oxo-7H-benzimidazo[2,1-a]benz[de]isoquinoline-3-carboxylic acid
ChEMBL: CHEMBL1182777
ZINC: ZINC000000009295
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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