BioLiP

PDB

BioLiP

PDB CCD ID:

IPG

Number of entries in BioLiP:

Chemical formula:

C5 H11 N O2

InChI:

InChI=1S/C5H11NO2/c1-4(2)6-3-5(7)8/h4,6H,3H2,1-2H3,(H,7,8)

InChIKey:

HEPOIJKOXBKKNJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(O)CNC(C)C
OpenEye OEToolkits 1.5.0	CC(C)NCC(=O)O
CACTVS 3.341	CC(C)NCC(O)=O

Name:

N-ISOPROPYL GLYCINE

ZINC:

ZINC000001687617

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).