BioLiP

PDB

BioLiP

PDB CCD ID:

CWR

Number of entries in BioLiP:

Chemical formula:

C6 H8 N2 O3

InChI:

InChI=1S/C6H8N2O3/c1-4-6(11)8(3-7-4)2-5(9)10/h2-3H2,1H3,(H,9,10)

InChIKey:

PQCLFXQUIHKATH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CC1=NCN(CC(O)=O)C1=O
OpenEye OEToolkits 1.5.0	CC1=NCN(C1=O)CC(=O)O
ACDLabs 10.04	O=C1C(=NCN1CC(=O)O)C

Name:

(4-methyl-5-oxo-2,5-dihydro-1H-imidazol-1-yl)acetic acid;
(ALA-SER-GLY) CHROMOPHORE

ZINC:

ZINC000103537506

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).