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BioLiP

PDB CCD ID: A1AC6
Number of entries in BioLiP: 2
Chemical formula: C19 H19 Br N2 O4
InChI: InChI=1S/C19H19BrN2O4/c1-25-17-10-15(7-4-13(17)9-16-11-26-19(24)22-16)21-18(23)8-12-2-5-14(20)6-3-12/h2-7,10,16H,8-9,11H2,1H3,(H,21,23)(H,22,24)/t16-/m0/s1
InChIKey: GVSSEJUGEJTADP-INIZCTEOSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1cc(ccc1C[C@H]2COC(=O)N2)NC(=O)Cc3ccc(cc3)Br
ACDLabs 12.01Brc1ccc(cc1)CC(=O)Nc1cc(OC)c(CC2NC(=O)OC2)cc1
OpenEye OEToolkits 2.0.7COc1cc(ccc1CC2COC(=O)N2)NC(=O)Cc3ccc(cc3)Br
CACTVS 3.385COc1cc(NC(=O)Cc2ccc(Br)cc2)ccc1C[CH]3COC(=O)N3
CACTVS 3.385COc1cc(NC(=O)Cc2ccc(Br)cc2)ccc1C[C@H]3COC(=O)N3
Name:2-(4-bromophenyl)-N-(3-methoxy-4-{[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl}phenyl)acetamide
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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