BioLiP

PDB

BioLiP

PDB CCD ID:

42B

Number of entries in BioLiP:

Chemical formula:

C4 H9 N O3

InChI:

InChI=1S/C4H9NO3/c5-2-1-3(6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m1/s1

InChIKey:

IVUOMFWNDGNLBJ-GSVOUGTGSA-N

SMILES:

Software	SMILES
CACTVS 3.341	NCC[C@@H](O)C(O)=O
OpenEye OEToolkits 1.5.0	C(CN)[C@H](C(=O)O)O
ACDLabs 10.04	O=C(O)C(O)CCN
OpenEye OEToolkits 1.5.0	C(CN)C(C(=O)O)O
CACTVS 3.341	NCC[CH](O)C(O)=O

Name:

4-AMINO-2-HYDROXYBUTANOIC ACID

ZINC:

ZINC000002019612

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).