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BioLiP

PDB CCD ID: YE7
Number of entries in BioLiP: 1
Chemical formula: C12 H10 N4 O
InChI: InChI=1S/C12H10N4O/c13-15-12(17)10-7-16-6-5-8-3-1-2-4-9(8)11(16)14-10/h1-7H,13H2,(H,15,17)
InChIKey: WSNWYZBDIKCPIG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(c1nc2c3c(ccn2c1)cccc3)NN
OpenEye OEToolkits 1.5.0c1ccc2c(c1)ccn3c2nc(c3)C(=O)NN
CACTVS 3.341NNC(=O)c1cn2ccc3ccccc3c2n1
Name:IMIDAZO[2,1-A]ISOQUINOLINE-2-CARBOHYDRAZIDE
ChEMBL: CHEMBL238659
DrugBank: DB08758
ZINC: ZINC000000434357
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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