BioLiP

PDB

BioLiP

PDB CCD ID:

2TL

Number of entries in BioLiP:

Chemical formula:

C4 H9 N O3

InChI:

InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m1/s1

InChIKey:

AYFVYJQAPQTCCC-PWNYCUMCSA-N

SMILES:

Software	SMILES
CACTVS 3.341	C[C@@H](O)[C@@H](N)C(O)=O
OpenEye OEToolkits 1.5.0	C[C@H]([C@H](C(=O)O)N)O
ACDLabs 10.04	O=C(O)C(N)C(O)C
OpenEye OEToolkits 1.5.0	CC(C(C(=O)O)N)O
CACTVS 3.341	C[CH](O)[CH](N)C(O)=O

Name:

D-allothreonine

ChEMBL:

CHEMBL319354

DrugBank:

DB03700

ZINC:

ZINC000000895399

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).