BioLiP

PDB

BioLiP

PDB CCD ID:

LNM

Number of entries in BioLiP:

Chemical formula:

C7 H16 N2 O

InChI:

InChI=1S/C7H16N2O/c1-5(2)4-6(8)7(10)9-3/h5-6H,4,8H2,1-3H3,(H,9,10)/t6-/m0/s1

InChIKey:

LIBDTAYIDBPBRN-LURJTMIESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	CC(C)CC(C(=O)NC)N
CACTVS 3.370	CNC(=O)[CH](N)CC(C)C
CACTVS 3.370	CNC(=O)[C@@H](N)CC(C)C
ACDLabs 12.01	O=C(NC)C(N)CC(C)C
OpenEye OEToolkits 1.7.2	CC(C)C[C@@H](C(=O)NC)N

Name:

N-methyl-L-leucinamide

ZINC:

ZINC000019509929

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).