BioLiP

PDB

BioLiP

PDB CCD ID:

9KK

Number of entries in BioLiP:

Chemical formula:

C7 H15 N O2

InChI:

InChI=1S/C7H15NO2/c1-3-4-5-6(8-2)7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10)/t6-/m0/s1

InChIKey:

FPDYKABXINADKS-LURJTMIESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CCCCC(C(=O)O)NC
OpenEye OEToolkits 2.0.6	CCCC[C@@H](C(=O)O)NC
CACTVS 3.385	CCCC[CH](NC)C(O)=O
CACTVS 3.385	CCCC[C@H](NC)C(O)=O

Name:

N-methyl norleucine

ZINC:

ZINC000002389619

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).