BioLiP

PDB

BioLiP

PDB CCD ID:

I4G

Number of entries in BioLiP:

Chemical formula:

C6 H13 N O2

InChI:

InChI=1S/C6H13NO2/c1-5(2)3-7-4-6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9)

InChIKey:

VKZGJEWGVNFKPE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CC(C)CNCC(=O)O
CACTVS 3.385	CC(C)CNCC(O)=O
ACDLabs 12.01	O=C(O)CNCC(C)C

Name:

N-(2-methylpropyl)glycine

ZINC:

ZINC000020376249

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).