BioLiP

PDB

BioLiP

PDB CCD ID:

A1APK

Number of entries in BioLiP:

Chemical formula:

C15 H15 Cl N2 O5 S

InChI:

InChI=1S/C15H15ClN2O5S/c1-22-8-23-10-2-3-11(12(16)5-10)15-18-9(7-24-15)4-13(19)17-6-14(20)21/h2-3,5,7H,4,6,8H2,1H3,(H,17,19)(H,20,21)

InChIKey:

MOVMDJVZNRFJJJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COCOc1ccc(c(c1)Cl)c2nc(cs2)CC(=O)NCC(=O)O
ACDLabs 12.01	O=C(O)CNC(=O)Cc1csc(n1)c1ccc(cc1Cl)OCOC
CACTVS 3.385	COCOc1ccc(c(Cl)c1)c2scc(CC(=O)NCC(O)=O)n2

Name:

N-({2-[2-chloro-4-(methoxymethoxy)phenyl]-1,3-thiazol-4-yl}acetyl)glycine;
SJ10278

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).