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BioLiP Library

PDB CCD ID: 6H9
Number of entries in BioLiP: 1
Chemical formula: C9 H11 N5 O
InChI: InChI=1S/C9H11N5O/c1-11-9-12-6-3-2-5(8(15)14-10)4-7(6)13-9/h2-4H,10H2,1H3,(H,14,15)(H2,11,12,13)
InChIKey: UAYYHYYNSIPFPB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c2(nc1c(cc(cc1)C(=O)NN)n2)NC
CACTVS 3.385
OpenEye OEToolkits 2.0.4		CNc1[nH]c2ccc(cc2n1)C(=O)NN
Name:2-(methylamino)-1H-benzimidazole-5-carbohydrazide
ChEMBL: CHEMBL4639064
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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