BioLiP

PDB

BioLiP

PDB CCD ID:

EO2

Number of entries in BioLiP:

Chemical formula:

C6 H11 N O2

InChI:

InChI=1S/C6H11NO2/c1-4(2)3-5(7)6(8)9/h5H,1,3,7H2,2H3,(H,8,9)/t5-/m0/s1

InChIKey:

PABWDKROPVYJBH-YFKPBYRVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CC(=C)C[C@@H](C(=O)O)N
CACTVS 3.385	CC(=C)C[C@H](N)C(O)=O
OpenEye OEToolkits 2.0.6	CC(=C)CC(C(=O)O)N
CACTVS 3.385	CC(=C)C[CH](N)C(O)=O

Name:

4,5-Dehydro-L-leucine

ZINC:

ZINC000002046241

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).