BioLiP

PDB

BioLiP

PDB CCD ID:

ZZJ

Number of entries in BioLiP:

Chemical formula:

C4 H10 N2 O

InChI:

InChI=1S/C4H10N2O/c1-3(6-2)4(5)7/h3,6H,1-2H3,(H2,5,7)/t3-/m0/s1

InChIKey:

QKNFFJHHPCWXTH-VKHMYHEASA-N

SMILES:

Software	SMILES
CACTVS 3.352	CN[CH](C)C(N)=O
CACTVS 3.352	CN[C@@H](C)C(N)=O
ACDLabs 10.04	O=C(N)C(NC)C
OpenEye OEToolkits 1.6.1	CC(C(=O)N)NC
OpenEye OEToolkits 1.6.1	C[C@@H](C(=O)N)NC

Name:

N^2^-methyl-L-alaninamide

ZINC:

ZINC000020307999

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).