BioLiP

PDB

BioLiP

PDB CCD ID:

AKB

Number of entries in BioLiP:

Chemical formula:

C4 H7 N O3

InChI:

InChI=1S/C4H7NO3/c1-2(6)3(5)4(7)8/h3H,5H2,1H3,(H,7,8)/t3-/m0/s1

InChIKey:

SAUCHDKDCUROAO-VKHMYHEASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(=O)[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0	CC(=O)C(C(=O)O)N
CACTVS 3.341	CC(=O)[C@H](N)C(O)=O
CACTVS 3.341	CC(=O)[CH](N)C(O)=O
ACDLabs 10.04	O=C(C)C(N)C(=O)O

Name:

2-AMINO-3-KETOBUTYRIC ACID

DrugBank:

DB03915

ZINC:

ZINC000000901672

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).