BioLiP

PDB

BioLiP

PDB CCD ID:

66E

Number of entries in BioLiP:

Chemical formula:

C7 H15 N O2

InChI:

InChI=1S/C7H15NO2/c1-4-8-6(5(2)3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)/t6-/m0/s1

InChIKey:

QHRMEJWWMGUKAM-LURJTMIESA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCN[C@@H](C(C)C)C(O)=O
OpenEye OEToolkits 2.0.4	CCNC(C(C)C)C(=O)O
CACTVS 3.385	CCN[CH](C(C)C)C(O)=O
ACDLabs 12.01	C(NC(C(O)=O)C(C)C)C
OpenEye OEToolkits 2.0.4	CCN[C@@H](C(C)C)C(=O)O

Name:

N-ethyl-L-valine

ZINC:

ZINC000014827249

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).