BioLiP

PDB

BioLiP

PDB CCD ID:

66N

Number of entries in BioLiP:

Chemical formula:

C3 H8 N2 O

InChI:

InChI=1S/C3H8N2O/c1-2(4)3(5)6/h2H,4H2,1H3,(H2,5,6)/t2-/m0/s1

InChIKey:

HQMLIDZJXVVKCW-REOHCLBHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	CC(C(=O)N)N
CACTVS 3.385	C[C@H](N)C(N)=O
ACDLabs 12.01	O=C(C(N)C)N
CACTVS 3.385	C[CH](N)C(N)=O
OpenEye OEToolkits 2.0.4	C[C@@H](C(=O)N)N

Name:

L-alaninamide

ZINC:

ZINC000002046876

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).