BioLiP

PDB

BioLiP

PDB CCD ID:

4ZM

Number of entries in BioLiP:

Chemical formula:

C17 H19 N3 O3

InChI:

InChI=1S/C17H19N3O3/c1-2-23-16(21)12-20-17(22)19-11-13-4-3-5-15(10-13)14-6-8-18-9-7-14/h3-10H,2,11-12H2,1H3,(H2,19,20,22)

InChIKey:

RQULFHOUPQXHRG-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	N(CC(OCC)=O)C(NCc1cc(ccc1)c2ccncc2)=O
CACTVS 3.385 OpenEye OEToolkits 1.9.2	CCOC(=O)CNC(=O)NCc1cccc(c1)c2ccncc2

Name:

ethyl N-{[3-(pyridin-4-yl)benzyl]carbamoyl}glycinate

ZINC:

ZINC000584905158

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).