BioLiP

PDB

BioLiP

PDB CCD ID:

0NC

Number of entries in BioLiP:

Chemical formula:

C4 H10 N2 O

InChI:

InChI=1S/C4H10N2O/c1-3(5)4(7)6-2/h3H,5H2,1-2H3,(H,6,7)/t3-/m0/s1

InChIKey:

CKQYFZPCICOPMQ-VKHMYHEASA-N

SMILES:

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

Name:

N-methyl-L-alaninamide

ZINC:

ZINC000002560941

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).