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BioLiP

PDB CCD ID: 2O0
Number of entries in BioLiP: 1
Chemical formula: C10 H11 N3 O
InChI: InChI=1S/C10H11N3O/c11-10(14)5-6-13-7-12-8-3-1-2-4-9(8)13/h1-4,7H,5-6H2,(H2,11,14)
InChIKey: UTOCMNYFMMLILL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=O)CCn1cnc2ccccc12
OpenEye OEToolkits 1.7.6c1ccc2c(c1)ncn2CCC(=O)N
ACDLabs 12.01O=C(N)CCn1c2ccccc2nc1
Name:3-(1H-benzimidazol-1-yl)propanamide
ChEMBL: CHEMBL1895548
ZINC: ZINC000000203341
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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