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BioLiP

PDB CCD ID: A1H0W
Number of entries in BioLiP: 4
Chemical formula: C9 H11 N5 O
InChI: InChI=1S/C9H11N5O/c1-15-5-2-3-6-7(4-5)13-9(12-6)14-8(10)11/h2-4H,1H3,(H5,10,11,12,13,14)
InChIKey: UNAQOMVIYOSKDN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc2c(c1)nc([nH]2)NC(=N)N
CACTVS 3.385COc1ccc2[nH]c(NC(N)=N)nc2c1
OpenEye OEToolkits 2.0.7[H]/N=C(\N)/Nc1[nH]c2ccc(cc2n1)OC
Name:1-(5-methoxy-1~{H}-benzimidazol-2-yl)guanidine;
O-PHOSPHONO-D-THREONINE
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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