BioLiP

PDB

BioLiP

PDB CCD ID:

RWM

Number of entries in BioLiP:

Chemical formula:

C15 H14 N2 O3

InChI:

InChI=1S/C15H14N2O3/c1-15(13(18)8-14(19)16-15)9-11-7-12(17-20-11)10-5-3-2-4-6-10/h2-7H,8-9H2,1H3,(H,16,19)/t15-/m0/s1

InChIKey:

QYMOUPYIBHTJEC-HNNXBMFYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	n2c(cc(CC1(C)NC(CC1=O)=O)o2)c3ccccc3
CACTVS 3.385	C[C]1(Cc2onc(c2)c3ccccc3)NC(=O)CC1=O
OpenEye OEToolkits 2.0.6	C[C@@]1(C(=O)CC(=O)N1)Cc2cc(no2)c3ccccc3
OpenEye OEToolkits 2.0.6	CC1(C(=O)CC(=O)N1)Cc2cc(no2)c3ccccc3
CACTVS 3.385	C[C@@]1(Cc2onc(c2)c3ccccc3)NC(=O)CC1=O

Name:

(5S)-5-methyl-5-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-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).