BioLiP

PDB

BioLiP

PDB CCD ID:

VLL

Number of entries in BioLiP:

Chemical formula:

C4 H10 N2 O2

InChI:

InChI=1S/C4H10N2O2/c1-2(5)3(6)4(7)8/h2-3H,5-6H2,1H3,(H,7,8)/t2-,3+/m1/s1

InChIKey:

SXGMVGOVILIERA-GBXIJSLDSA-N

SMILES:

Software	SMILES
CACTVS 3.352	C[C@@H](N)[C@H](N)C(O)=O
OpenEye OEToolkits 1.7.0	CC(C(C(=O)O)N)N
OpenEye OEToolkits 1.7.0	C[C@H]([C@@H](C(=O)O)N)N
CACTVS 3.352	C[CH](N)[CH](N)C(O)=O
ACDLabs 11.02	O=C(O)C(N)C(N)C

Name:

(2S)-2,3-DIAMINOBUTANOIC ACID;
L-THREO-2,3-DIAMINO-BUTYRIC ACID

DrugBank:

DB04804

ZINC:

ZINC000095483610

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).