BioLiP

PDB

BioLiP

PDB CCD ID:

X60

Number of entries in BioLiP:

Chemical formula:

C7 H15 N O2

InChI:

InChI=1S/C7H15NO2/c1-3-5-7(8,4-2)6(9)10/h3-5,8H2,1-2H3,(H,9,10)/t7-/m0/s1

InChIKey:

LBGMPMJSIJSELV-ZETCQYMHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCC[C](N)(CC)C(O)=O
OpenEye OEToolkits 2.0.7	CCCC(CC)(C(=O)O)N
CACTVS 3.385	CCC[C@@](N)(CC)C(O)=O
OpenEye OEToolkits 2.0.7	CCC[C@@](CC)(C(=O)O)N
ACDLabs 12.01	CCCC(N)(CC)C(=O)O

Name:

2-ethyl-L-norvaline

ZINC:

ZINC000006381097

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).