BioLiP

PDB

BioLiP

PDB CCD ID:

O7G

Number of entries in BioLiP:

Chemical formula:

C7 H15 N O2

InChI:

InChI=1S/C7H15NO2/c1-5(2)6(7(9)10)8(3)4/h5-6H,1-4H3,(H,9,10)/t6-/m0/s1

InChIKey:

APGLTERDKORUHK-LURJTMIESA-N

SMILES:

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

Name:

N,N-dimethyl-L-valine

ZINC:

ZINC000000402067

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).