BioLiP

PDB

BioLiP

PDB CCD ID:

A1L5V

Number of entries in BioLiP:

Chemical formula:

C22 H21 F N6 O5

InChI:

InChI=1S/C22H21FN6O5/c1-28-18(31)5-3-12-2-4-15(23)14(19(12)28)6-7-24-8-13-10-29(22(32)34-13)16-9-25-21-20(26-16)27-17(30)11-33-21/h2-5,9,13,24H,6-8,10-11H2,1H3,(H,26,27,30)

InChIKey:

MKICNOUBIXXGPQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN1c2c(ccc(c2CCNC[C@H]3CN(C(=O)O3)c4cnc5c(n4)NC(=O)CO5)F)C=CC1=O
CACTVS 3.385	CN1C(=O)C=Cc2ccc(F)c(CCNC[C@H]3CN(C(=O)O3)c4cnc5OCC(=O)Nc5n4)c12
OpenEye OEToolkits 2.0.7	CN1c2c(ccc(c2CCNCC3CN(C(=O)O3)c4cnc5c(n4)NC(=O)CO5)F)C=CC1=O
CACTVS 3.385	CN1C(=O)C=Cc2ccc(F)c(CCNC[CH]3CN(C(=O)O3)c4cnc5OCC(=O)Nc5n4)c12

Name:

6-[(5S)-5-[[[2-(7-Fluoro-1,2-dihydro-1-methyl-2-oxo-8-quinolinyl)ethyl]amino]methyl]-2-oxo-3-oxazolidinyl]-2H-pyrazino[2,3-b]-1,4-oxazin-3(4H)-one;
BWC0977

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).