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BioLiP

PDB CCD ID: OAX
Number of entries in BioLiP: 2
Chemical formula: C13 H15 Cl N2 O2
InChI: InChI=1S/C13H15ClN2O2/c14-12-5-3-11(4-6-12)13(18)15-8-16(9-17)7-10-1-2-10/h3-6,9-10H,1-2,7-8H2,(H,15,18)
InChIKey: ZKBKHQJPIDEDKI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1ccc(cc1)C(=O)NCN(CC2CC2)C=O
OpenEye OEToolkits 2.0.7c1cc(ccc1C(=O)NCN(CC2CC2)C=O)Cl
Name:4-chloranyl-N-[[cyclopropylmethyl(methanoyl)amino]methyl]benzamide
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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