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BioLiP Library

PDB CCD ID: CWM
Number of entries in BioLiP: 2
Chemical formula: C8 H8 N2 O
InChI: InChI=1S/C8H8N2O/c1-5-9-6-3-2-4-7(11)8(6)10-5/h2-4,11H,1H3,(H,9,10)
InChIKey: HLPAESMITTURFN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1[nH]c2c(O)cccc2n1
ACDLabs 12.01c1c(O)c2nc(C)nc2cc1
OpenEye OEToolkits 2.0.6Cc1[nH]c2c(n1)cccc2O
Name:2-methyl-1H-benzimidazol-7-ol
ZINC: ZINC000076209601
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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