BioLiP

PDB

BioLiP

PDB CCD ID:

502

Number of entries in BioLiP:

Chemical formula:

C11 H16 N4 O3

InChI:

InChI=1S/C11H16N4O3/c1-2-18-10(16)7-15-11(17)14-6-8-3-4-13-9(12)5-8/h3-5H,2,6-7H2,1H3,(H2,12,13)(H2,14,15,17)

InChIKey:

HBRFEPDAWBTTTH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCOC(=O)CNC(=O)NCc1ccnc(N)c1
ACDLabs 12.01	C(NC(NCC(=O)OCC)=O)c1ccnc(c1)N
OpenEye OEToolkits 1.9.2	CCOC(=O)CNC(=O)NCc1ccnc(c1)N

Name:

ethyl N-{[(2-aminopyridin-4-yl)methyl]carbamoyl}glycinate

ZINC:

ZINC000584905125

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).