BioLiP

PDB

BioLiP

PDB CCD ID:

MLL

Number of entries in BioLiP:

Chemical formula:

C7 H15 N O2

InChI:

InChI=1S/C7H15NO2/c1-5(2)4-6(8)7(9)10-3/h5-6H,4,8H2,1-3H3/t6-/m0/s1

InChIKey:

QVDXUKJJGUSGLS-LURJTMIESA-N

SMILES:

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

Name:

METHYL L-LEUCINATE

ChEMBL:

CHEMBL1229070

ZINC:

ZINC000054954737

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).