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BioLiP

PDB CCD ID: T1J
Number of entries in BioLiP: 5
Chemical formula: C14 H13 N3 O
InChI: InChI=1S/C14H13N3O/c18-13-8-4-1-5-10(13)9-15-14-16-11-6-2-3-7-12(11)17-14/h1-8,18H,9H2,(H2,15,16,17)
InChIKey: OCDMDLRMBVJKCG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c3(NCc1c(O)cccc1)nc2ccccc2n3
OpenEye OEToolkits 2.0.7c1ccc(c(c1)CNc2[nH]c3ccccc3n2)O
CACTVS 3.385Oc1ccccc1CNc2[nH]c3ccccc3n2
Name:2-{[(1H-benzimidazol-2-yl)amino]methyl}phenol
ZINC: ZINC000000285476
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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