BioLiP

PDB

BioLiP

PDB CCD ID:

EKN

Number of entries in BioLiP:

Chemical formula:

C6 H12 N2 O4

InChI:

InChI=1S/C6H12N2O4/c7-1-2-8-4(6(11)12)3-5(9)10/h4,8H,1-3,7H2,(H,9,10)(H,11,12)/t4-/m0/s1

InChIKey:

PDDUTYPDHMQVSU-BYPYZUCNSA-N

SMILES:

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

Name:

(2~{S})-2-(2-azanylethylamino)butanedioic acid

ZINC:

ZINC000098090064

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).