SEQ2FUN

BioLiP

PDB CCD ID: XQU
Number of entries in BioLiP: 1
Chemical formula: C11 H14 Cl2 N2 O4
InChI: InChI=1S/C11H14Cl2N2O4/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(15-19)4-2-6/h1-4,8-10,15-17,19H,5H2,(H,14,18)/t8-,9-/m1/s1
InChIKey: BLAGYAGCQKHABH-RKDXNWHRSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1C(C(CO)NC(=O)C(Cl)Cl)O)NO
ACDLabs 12.01ONc1ccc(cc1)C(O)C(CO)NC(=O)C(Cl)Cl
OpenEye OEToolkits 2.0.7c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)NO
CACTVS 3.385OC[CH](NC(=O)C(Cl)Cl)[CH](O)c1ccc(NO)cc1
CACTVS 3.385OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc(NO)cc1
Name:nitrosochloramphenicol;
2,2-dichloro-N-{(1R,2R)-1,3-dihydroxy-1-[4-(hydroxyamino)phenyl]propan-2-yl}acetamide

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).