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BioLiP

PDB CCD ID: UVJ
Number of entries in BioLiP: 2
Chemical formula: C11 H13 N3 O
InChI: InChI=1S/C11H13N3O/c1-8-13-9-4-2-3-5-10(9)14(8)7-6-11(12)15/h2-5H,6-7H2,1H3,(H2,12,15)
InChIKey: HZTUIHZIQKFSIL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1nc2ccccc2n1CCC(N)=O
OpenEye OEToolkits 2.0.7Cc1nc2ccccc2n1CCC(=O)N
ACDLabs 12.01n2(c1ccccc1nc2C)CCC(N)=O
Name:3-(2-methyl-1H-benzimidazol-1-yl)propanamide
ZINC: ZINC000000560684
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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