BioLiP

PDB

BioLiP

PDB CCD ID:

IMT

Number of entries in BioLiP:

Chemical formula:

C5 H7 N3 O2

InChI:

InChI=1S/C5H7N3O2/c1-8-2-3(6)7-4(8)5(9)10/h2H,6H2,1H3,(H,9,10)

InChIKey:

PPQDQYBXCYQCNH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	Cn1cc(nc1C(=O)O)N
CACTVS 3.341	Cn1cc(N)nc1C(O)=O
ACDLabs 10.04	O=C(O)c1nc(N)cn1C

Name:

4-AMINO-(1-METHYLIMIDAZOLE)-2-CARBOXYLIC ACID

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).