BioLiP

PDB

BioLiP

PDB CCD ID:

P4B

Number of entries in BioLiP:

Chemical formula:

C6 H14 N2 O3

InChI:

InChI=1S/C6H14N2O3/c1-4(9)8-5(2-3-7)6(10)11/h4-5,8-9H,2-3,7H2,1H3,(H,10,11)/t4-,5+/m0/s1

InChIKey:

WSKLDXXLKTXXMW-CRCLSJGQSA-N

SMILES:

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

Name:

(2~{R})-4-azanyl-2-[[(1~{S})-1-oxidanylethyl]amino]butanoic acid

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).