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BioLiP

PDB CCD ID: 122
Number of entries in BioLiP: 2
Chemical formula: C14 H13 N4 O
InChI: InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18)/p+1
InChIKey: URJKRCBBKTXOHS-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
ACDLabs 10.04Oc3ccccc3c2nc1ccc(cc1n2)\C(=[NH2+])N
OpenEye OEToolkits 1.5.0c1ccc(c(c1)c2[nH]c3cc(ccc3n2)C(=[NH2+])N)O
CACTVS 3.341NC(=[NH2+])c1ccc2nc([nH]c2c1)c3ccccc3O
Name:2-(2-HYDROXY-PHENYL)-3H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
DrugBank: DB02287
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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