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BioLiP

PDB CCD ID: A1H0T
Number of entries in BioLiP: 4
Chemical formula: C8 H7 Cl2 N5
InChI: InChI=1S/C8H7Cl2N5/c9-3-1-4(10)6-5(2-3)13-8(14-6)15-7(11)12/h1-2H,(H5,11,12,13,14,15)
InChIKey: OGKMGWPIDIMCSH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=N)Nc1[nH]c2cc(Cl)cc(Cl)c2n1
OpenEye OEToolkits 2.0.7c1c(cc(c2c1[nH]c(n2)NC(=N)N)Cl)Cl
OpenEye OEToolkits 2.0.7[H]/N=C(\N)/Nc1[nH]c2cc(cc(c2n1)Cl)Cl
Name:1-[4,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]guanidine
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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