BioLiP

PDB

BioLiP

PDB CCD ID:

MLU

Number of entries in BioLiP:

Chemical formula:

C7 H15 N O2

InChI:

InChI=1S/C7H15NO2/c1-5(2)4-6(8-3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)/t6-/m1/s1

InChIKey:

XJODGRWDFZVTKW-ZCFIWIBFSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CC(C)CC(C(=O)O)NC
CACTVS 3.370	CN[C@H](CC(C)C)C(O)=O
CACTVS 3.370	CN[CH](CC(C)C)C(O)=O
OpenEye OEToolkits 1.7.6	CC(C)C[C@H](C(=O)O)NC
ACDLabs 12.01	O=C(O)C(NC)CC(C)C

Name:

N-methyl-D-leucine

DrugBank:

DB04487

ZINC:

ZINC000000403026

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).