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BioLiP Library

PDB CCD ID: A1AQI
Number of entries in BioLiP: 3
Chemical formula: C10 H13 N3
InChI: InChI=1S/C10H13N3/c1-7(2)13-9-6-4-3-5-8(9)12-10(13)11/h3-7H,1-2H3,(H2,11,12)
InChIKey: UDJSHISPNDRJNE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01
OpenEye OEToolkits 2.0.7		CC(C)n1c2ccccc2nc1N
CACTVS 3.385CC(C)n1c(N)nc2ccccc12
Name:1-(propan-2-yl)-1H-1,3-benzimidazol-2-amine
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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