BioLiP

PDB

BioLiP

PDB CCD ID:

4ZO

Number of entries in BioLiP:

Chemical formula:

C14 H19 N3 O4

InChI:

InChI=1S/C14H19N3O4/c1-3-21-13(19)9-16-14(20)15-8-11-4-6-12(7-5-11)17-10(2)18/h4-7H,3,8-9H2,1-2H3,(H,17,18)(H2,15,16,20)

InChIKey:

ZMKOCMUFOUNWFA-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	C(=O)(C)Nc1ccc(cc1)CNC(NCC(=O)OCC)=O
OpenEye OEToolkits 1.9.2	CCOC(=O)CNC(=O)NCc1ccc(cc1)NC(=O)C
CACTVS 3.385	CCOC(=O)CNC(=O)NCc1ccc(NC(C)=O)cc1

Name:

ethyl N-{[4-(acetylamino)benzyl]carbamoyl}glycinate

ChEMBL:

CHEMBL3799875

ZINC:

ZINC000211364046

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).