BioLiP

PDB

BioLiP

PDB CCD ID:

PQU

Number of entries in BioLiP:

Chemical formula:

C21 H17 N3 O4

InChI:

InChI=1S/C21H17N3O4/c1-21(15-12-13-18(22-14-15)27-17-10-6-3-7-11-17)19(25)24(20(26)28-21)23-16-8-4-2-5-9-16/h2-14,23H,1H3/t21-/m0/s1

InChIKey:

QOFLFGUNPBNKDO-NRFANRHFSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	CC1(OC(=O)N(Nc2ccccc2)C1=O)c1cnc(Oc2ccccc2)cc1
OpenEye OEToolkits 2.0.7	CC1(C(=O)N(C(=O)O1)Nc2ccccc2)c3ccc(nc3)Oc4ccccc4
CACTVS 3.385	C[C]1(OC(=O)N(Nc2ccccc2)C1=O)c3ccc(Oc4ccccc4)nc3
OpenEye OEToolkits 2.0.7	C[C@@]1(C(=O)N(C(=O)O1)Nc2ccccc2)c3ccc(nc3)Oc4ccccc4
CACTVS 3.385	C[C@]1(OC(=O)N(Nc2ccccc2)C1=O)c3ccc(Oc4ccccc4)nc3

Name:

(5S)-3-anilino-5-methyl-5-(6-phenoxypyridin-3-yl)-1,3-oxazolidine-2,4-dione

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).