BioLiP

PDB

BioLiP

PDB CCD ID:

2T3

Number of entries in BioLiP:

Chemical formula:

C10 H11 N O5

InChI:

InChI=1S/C10H11NO5/c12-7(8(13)10(15)16)9(14)11-6-4-2-1-3-5-6/h1-5,7-8,12-13H,(H,11,14)(H,15,16)/t7-,8-/m1/s1

InChIKey:

ZWXNRJCDXZFNLJ-HTQZYQBOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc(cc1)NC(=O)C(C(C(=O)O)O)O
CACTVS 3.341	O[CH]([CH](O)C(=O)Nc1ccccc1)C(O)=O
ACDLabs 10.04	O=C(Nc1ccccc1)C(O)C(O)C(=O)O
OpenEye OEToolkits 1.5.0	c1ccc(cc1)NC(=O)[C@@H]([C@H](C(=O)O)O)O
CACTVS 3.341	O[C@H]([C@@H](O)C(=O)Nc1ccccc1)C(O)=O

Name:

(2R,3R)-4-ANILINO-2,3-DIHYDROXY-4-OXOBUTANOIC ACID

ZINC:

ZINC000002379613

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).