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BioLiP

PDB CCD ID: LXA
Number of entries in BioLiP: 10
Chemical formula: C11 H13 N3 O2
InChI: InChI=1S/C11H13N3O2/c1-16-7-11(15)12-6-10-13-8-4-2-3-5-9(8)14-10/h2-5H,6-7H2,1H3,(H,12,15)(H,13,14)
InChIKey: LZINBAGZNCYRNQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.6		COCC(=O)NCc1[nH]c2ccccc2n1
Name:~{N}-(1~{H}-benzimidazol-2-ylmethyl)-2-methoxy-ethanamide
ChEMBL: CHEMBL1409021
ZINC: ZINC000000200675
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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