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BioLiP Library

PDB CCD ID: 9MJ
Number of entries in BioLiP: 1
Chemical formula: C7 H7 N5 O2
InChI: InChI=1S/C7H7N5O2/c8-6-10-5(4-2-1-3-14-4)11-12(6)7(9)13/h1-3H,(H2,9,13)(H2,8,10,11)
InChIKey: NBDYCQJTOKDLCM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(oc1)c2nc(n(n2)C(=O)N)N
CACTVS 3.385NC(=O)n1nc(nc1N)c2occc2
ACDLabs 12.01O=C(n1nc(nc1N)c2occc2)N
Name:5-amino-3-(furan-2-yl)-1H-1,2,4-triazole-1-carboxamide
ZINC: ZINC000263620780
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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