BioLiP

PDB

BioLiP

PDB CCD ID:

Q3S

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+/m0/s1

InChIKey:

SXGMVGOVILIERA-STHAYSLISA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C(C(=O)O)N)N
CACTVS 3.385	C[C@H](N)[C@@H](N)C(O)=O
CACTVS 3.385	C[CH](N)[CH](N)C(O)=O
ACDLabs 12.01	NC(C(O)=O)C(C)N
OpenEye OEToolkits 2.0.7	C[C@@H]([C@H](C(=O)O)N)N

Name:

(2R,3S)-2,3-diaminobutanoic acid

ZINC:

ZINC000095483611

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).