BioLiP

PDB

BioLiP

PDB CCD ID:

A1L7N

Number of entries in BioLiP:

Chemical formula:

C6 H13 N O2

InChI:

InChI=1S/C6H13NO2/c1-3-4-5(7-2)6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9)/t5-/m0/s1

InChIKey:

HCPKYUNZBPVCHC-YFKPBYRVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCC(C(=O)O)NC
CACTVS 3.385	CCC[CH](NC)C(O)=O
OpenEye OEToolkits 2.0.7	CCC[C@@H](C(=O)O)NC
CACTVS 3.385	CCC[C@H](NC)C(O)=O

Name:

N-Methyl-L-norvaline;
(2~{S})-2-(methylamino)pentanoic 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).