BioLiP

PDB

BioLiP

PDB CCD ID:

TBG

Number of entries in BioLiP:

Chemical formula:

C6 H13 N O2

InChI:

InChI=1S/C6H13NO2/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H,8,9)/t4-/m1/s1

InChIKey:

NPDBDJFLKKQMCM-SCSAIBSYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	CC(C)(C)[C@@H](C(=O)O)N
ACDLabs 12.01	O=C(O)C(N)C(C)(C)C
CACTVS 3.370	CC(C)(C)[CH](N)C(O)=O
OpenEye OEToolkits 1.7.0	CC(C)(C)C(C(=O)O)N
CACTVS 3.370	CC(C)(C)[C@H](N)C(O)=O

Name:

3-methyl-L-valine

ZINC:

ZINC000000164935

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).