BioLiP

PDB

BioLiP

PDB CCD ID:

A1IFH

Number of entries in BioLiP:

Chemical formula:

C4 H9 N O3

InChI:

InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1

InChIKey:

YQGDEPYYFWUPGO-VKHMYHEASA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC[C@@H](O)CC(O)=O
OpenEye OEToolkits 2.0.7	C([C@@H](CN)O)C(=O)O
CACTVS 3.385	NC[CH](O)CC(O)=O
OpenEye OEToolkits 2.0.7	C(C(CN)O)C(=O)O

Name:

(S)-amino-3-hydroxybutanoic acid;
(S)-GABOB

ChEMBL:

CHEMBL296263

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).