BioLiP

PDB

BioLiP

PDB CCD ID:

MV9

Number of entries in BioLiP:

Chemical formula:

C6 H13 N O2

InChI:

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

InChIKey:

AKCRVYNORCOYQT-RXMQYKEDSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	CC(C)[C@H](C(=O)O)NC
OpenEye OEToolkits 2.0.4	CC(C)C(C(=O)O)NC
CACTVS 3.385	CN[CH](C(C)C)C(O)=O
CACTVS 3.385	CN[C@H](C(C)C)C(O)=O

Name:

(2~{R})-3-methyl-2-(methylamino)butanoic acid;
N-Methyl-D-valine

ZINC:

ZINC000000403088

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).