BioLiP

PDB

BioLiP

PDB CCD ID:

A1APS

Number of entries in BioLiP:

Chemical formula:

C17 H14 N2 O3 S

InChI:

InChI=1S/C17H14N2O3S/c20-15(18-9-16(21)22)8-14-10-23-17(19-14)13-6-5-11-3-1-2-4-12(11)7-13/h1-7,10H,8-9H2,(H,18,20)(H,21,22)

InChIKey:

VQPWBMLXWGTCAU-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(O)CNC(=O)Cc1csc(n1)c1ccc2ccccc2c1
CACTVS 3.385	OC(=O)CNC(=O)Cc1csc(n1)c2ccc3ccccc3c2
OpenEye OEToolkits 2.0.7	c1ccc2cc(ccc2c1)c3nc(cs3)CC(=O)NCC(=O)O

Name:

N-{[2-(naphthalen-2-yl)-1,3-thiazol-4-yl]acetyl}glycine;
SJ46411

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).