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BioLiP

PDB CCD ID: 4FM
Number of entries in BioLiP: 1
Chemical formula: C10 H9 Cl N4 O2
InChI: InChI=1S/C10H9ClN4O2/c11-7-3-1-6(2-4-7)5-13-10(16)8-9(12)15-17-14-8/h1-4H,5H2,(H2,12,15)(H,13,16)
InChIKey: WIWIWZDRJHCWJZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cc(ccc1CNC(=O)c2c(non2)N)Cl
CACTVS 3.385Nc1nonc1C(=O)NCc2ccc(Cl)cc2
ACDLabs 12.01c1c(ccc(c1)Cl)CNC(c2c(non2)N)=O
Name:4-amino-N-(4-chlorobenzyl)-1,2,5-oxadiazole-3-carboxamide
ZINC: ZINC000000340313
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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