BioLiP

PDB

BioLiP

PDB CCD ID:

GVE

Number of entries in BioLiP:

Chemical formula:

C5 H11 N O2

InChI:

InChI=1S/C5H11NO2/c1-8-5(7)3-2-4-6/h2-4,6H2,1H3

InChIKey:

KVQGGLZHHFGHPU-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370 OpenEye OEToolkits 1.7.0	COC(=O)CCCN
ACDLabs 12.01	O=C(OC)CCCN

Name:

METHYL 4-AMINOBUTANOATE

ZINC:

ZINC000002019854

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).