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BioLiP Library

PDB CCD ID: AGJ
Number of entries in BioLiP: 1
Chemical formula: C18 H20 N2 O4
InChI: InChI=1S/C18H20N2O4/c21-11-10-20(17(22)12-14-4-2-1-3-5-14)13-15-6-8-16(9-7-15)18(23)19-24/h1-9,21,24H,10-13H2,(H,19,23)
InChIKey: GTFAUKGKYICUDS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)CC(=O)N(CCO)Cc2ccc(cc2)C(=O)NO
ACDLabs 12.01O=C(Cc1ccccc1)N(Cc2ccc(C(=O)NO)cc2)CCO
CACTVS 3.385OCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Cc2ccccc2
Name:N-hydroxy-4-{[(2-hydroxyethyl)(phenylacetyl)amino]methyl}benzamide
ChEMBL: CHEMBL4079541
ZINC: ZINC000585091601
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)(download the PDF file).
  • 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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