BioLiP

PDB

BioLiP

PDB CCD ID:

2ML

Number of entries in BioLiP:

Chemical formula:

C7 H15 N O2

InChI:

InChI=1S/C7H15NO2/c1-5(2)4-7(3,8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t7-/m0/s1

InChIKey:

ARSWQPLPYROOBG-ZETCQYMHSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CC(C)C[C](C)(N)C(O)=O
CACTVS 3.341	CC(C)C[C@](C)(N)C(O)=O
OpenEye OEToolkits 1.5.0	CC(C)C[C@@](C)(C(=O)O)N
ACDLabs 10.04	O=C(O)C(N)(C)CC(C)C
OpenEye OEToolkits 1.5.0	CC(C)CC(C)(C(=O)O)N

Name:

2-METHYLLEUCINE

DrugBank:

DB04063

ZINC:

ZINC000000403039

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).