BioLiP

PDB

BioLiP

PDB CCD ID:

NCB

Number of entries in BioLiP:

Chemical formula:

C4 H8 N2 O3

InChI:

InChI=1S/C4H8N2O3/c1-2(3(7)8)6-4(5)9/h2H,1H3,(H,7,8)(H3,5,6,9)/t2-/m1/s1

InChIKey:

LUSWEUMSEVLFEQ-UWTATZPHSA-N

SMILES:

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

Name:

N-CARBAMOYL-ALANINE

DrugBank:

DB04048

ZINC:

ZINC000082071078

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).