BioLiP

PDB

BioLiP

PDB CCD ID:

LF3

Number of entries in BioLiP:

Chemical formula:

C16 H14 Cl N3 O3

InChI:

InChI=1S/C16H14ClN3O3/c1-10-4-5-18-7-12(10)19-15(21)8-20-13-6-11(17)2-3-14(13)23-9-16(20)22/h2-7H,8-9H2,1H3,(H,19,21)

InChIKey:

SHDRXRMTUQTXFE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1ccncc1NC(=O)CN2c3cc(ccc3OCC2=O)Cl
CACTVS 3.385	Cc1ccncc1NC(=O)CN2C(=O)COc3ccc(Cl)cc23
ACDLabs 12.01	Cc1ccncc1NC(=O)CN1c2cc(Cl)ccc2OCC1=O

Name:

2-(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-(4-methylpyridin-3-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).