BioLiP

PDB

BioLiP

PDB CCD ID:

NLW

Number of entries in BioLiP:

Chemical formula:

C6 H14 N2 O

InChI:

InChI=1S/C6H14N2O/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H2,8,9)/t5-/m0/s1

InChIKey:

FORGMRSGVSYZQR-YFKPBYRVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	CC(C)C[C@@H](C(=O)N)N
ACDLabs 12.01	CC(CC(C(N)=O)N)C
OpenEye OEToolkits 2.0.4	CC(C)CC(C(=O)N)N
CACTVS 3.385	CC(C)C[CH](N)C(N)=O
CACTVS 3.385	CC(C)C[C@H](N)C(N)=O

Name:

L-leucinamide

ChEMBL:

CHEMBL598548

ZINC:

ZINC000003581377

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).