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BioLiP Library

PDB CCD ID: UI9
Number of entries in BioLiP: 0
Chemical formula: C19 H17 Cl F N7 O3
InChI: InChI=1S/C19H17ClFN7O3/c1-27-25-18(24-26-27)16-5-2-11(8-22-16)14-4-3-12(6-15(14)21)28-10-13(31-19(28)30)9-23-17(29)7-20/h2-6,8,13H,7,9-10H2,1H3,(H,23,29)/t13-/m0/s1
InChIKey: VVZVMIYJLRPJQL-ZDUSSCGKSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cn1nc(nn1)c2ccc(cn2)c3ccc(cc3F)N4CC(OC4=O)CNC(=O)CCl
CACTVS 3.385Cn1nnc(n1)c2ccc(cn2)c3ccc(cc3F)N4C[C@H](CNC(=O)CCl)OC4=O
OpenEye OEToolkits 2.0.7Cn1nc(nn1)c2ccc(cn2)c3ccc(cc3F)N4C[C@@H](OC4=O)CNC(=O)CCl
CACTVS 3.385Cn1nnc(n1)c2ccc(cn2)c3ccc(cc3F)N4C[CH](CNC(=O)CCl)OC4=O
ACDLabs 12.01O=C(NCC1CN(C(=O)O1)c1ccc(c2ccc(nc2)c2nn(C)nn2)c(F)c1)CCl
Name:2-chloro-N-{[(5S)-3-{(4M)-3-fluoro-4-[(6P)-6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl]phenyl}-2-oxo-1,3-oxazolidin-5-yl]methyl}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)(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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