SEQ2FUN

BioLiP

PDB CCD ID: L63
Number of entries in BioLiP: 4
Chemical formula: C17 H18 N2 O4
InChI: InChI=1S/C17H18N2O4/c1-11(20)15(17(22)19-23)18-16(21)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11,15,20,23H,1H3,(H,18,21)(H,19,22)/t11-,15+/m1/s1
InChIKey: AXQUTBMFDJGETC-ABAIWWIYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370C[CH](O)[CH](NC(=O)c1ccc(cc1)c2ccccc2)C(=O)NO
OpenEye OEToolkits 1.7.6CC(C(C(=O)NO)NC(=O)c1ccc(cc1)c2ccccc2)O
CACTVS 3.370C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)c2ccccc2)C(=O)NO
OpenEye OEToolkits 1.7.6C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)c2ccccc2)O
ACDLabs 12.01O=C(NC(C(=O)NO)C(O)C)c2ccc(c1ccccc1)cc2
Name:N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]biphenyl-4-carboxamide
ZINC: ZINC000071788677
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).