BioLiP

PDB

BioLiP

PDB CCD ID:

NLO

Number of entries in BioLiP:

Chemical formula:

C7 H15 N O2

InChI:

InChI=1S/C7H15NO2/c1-3-4-5-6(8)7(9)10-2/h6H,3-5,8H2,1-2H3/t6-/m0/s1

InChIKey:

TVZNFYXAPXOARC-LURJTMIESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CCCC[C@@H](C(=O)OC)N
OpenEye OEToolkits 1.5.0	CCCCC(C(=O)OC)N
ACDLabs 10.04	O=C(OC)C(N)CCCC
CACTVS 3.341	CCCC[C@H](N)C(=O)OC
CACTVS 3.341	CCCC[CH](N)C(=O)OC

Name:

O-METHYL-L-NORLEUCINE

ZINC:

ZINC000055157322

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).