BioLiP

PDB

BioLiP

PDB CCD ID:

6ZS

Number of entries in BioLiP:

Chemical formula:

C5 H11 N O2

InChI:

InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8)/t5-/m0/s1

InChIKey:

GCHPUFAZSONQIV-YFKPBYRVSA-N

SMILES:

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

Name:

L-isovaline

ZINC:

ZINC000000901761

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).