BioLiP

PDB

BioLiP

PDB CCD ID:

LNE

Number of entries in BioLiP:

Chemical formula:

C8 H18 N2 O

InChI:

InChI=1S/C8H18N2O/c1-4-10-8(11)7(9)5-6(2)3/h6-7H,4-5,9H2,1-3H3,(H,10,11)/t7-/m0/s1

InChIKey:

ODAKRYUDLXZGCT-ZETCQYMHSA-N

SMILES:

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

Name:

N-ethyl-L-leucinamide

ZINC:

ZINC000019426329

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).