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BioLiP

PDB CCD ID: VBX
Number of entries in BioLiP: 1
Chemical formula: C11 H15 N3 O2
InChI: InChI=1S/C11H15N3O2/c1-12-10(15)7-14-9-6-4-3-5-8(9)11(16)13-2/h3-6,14H,7H2,1-2H3,(H,12,15)(H,13,16)
InChIKey: RWJCHFUFXBULGJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CNC(=O)CNc1ccccc1C(=O)NC
ACDLabs 12.01CNC(=O)c1ccccc1NCC(=O)NC
Name:N-methyl-2-{[2-(methylamino)-2-oxoethyl]amino}benzamide
ZINC: ZINC000012505540
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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