BioLiP

PDB

BioLiP

PDB CCD ID:

LAL

Number of entries in BioLiP:

Chemical formula:

C5 H11 N O2

InChI:

InChI=1S/C5H11NO2/c1-4(5(7)8)6(2)3/h4H,1-3H3,(H,7,8)/t4-/m0/s1

InChIKey:

QCYOIFVBYZNUNW-BYPYZUCNSA-N

SMILES:

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

Name:

N,N-DIMETHYL-L-ALANINE

DrugBank:

DB02167

ZINC:

ZINC000004829414

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).