BioLiP

PDB

BioLiP

PDB CCD ID:

A1A2I

Number of entries in BioLiP:

Chemical formula:

C6 H13 N O2

InChI:

InChI=1S/C6H13NO2/c1-4(2)5(3-7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1

InChIKey:

UUQYMNPVPQLPID-RXMQYKEDSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)[CH](CN)C(O)=O
OpenEye OEToolkits 2.0.7	CC(C)[C@@H](CN)C(=O)O
CACTVS 3.385	CC(C)[C@@H](CN)C(O)=O
ACDLabs 12.01 OpenEye OEToolkits 2.0.7	CC(C)C(CN)C(=O)O

Name:

(2S)-2-(aminomethyl)-3-methylbutanoic acid

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).