BioLiP

PDB

BioLiP

PDB CCD ID:

T3R

Number of entries in BioLiP:

Chemical formula:

C8 H17 N O2

InChI:

InChI=1S/C8H17NO2/c1-6(2)4-5-7(9-3)8(10)11/h6-7,9H,4-5H2,1-3H3,(H,10,11)/t7-/m0/s1

InChIKey:

NEBSZBVQOBTMPC-ZETCQYMHSA-N

SMILES:

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

Name:

N,5-dimethyl-L-norleucine

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).