BioLiP

PDB

BioLiP

PDB CCD ID:

A1IIB

Number of entries in BioLiP:

Chemical formula:

C5 H6 N2 O2

InChI:

InChI=1S/C5H6N2O2/c1-9-5(8)4-2-6-3-7-4/h2-3H,1H3,(H,6,7)

InChIKey:

DVLGIQNHKLWSRU-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COC(=O)c1[nH]cnc1
OpenEye OEToolkits 2.0.7	COC(=O)c1cnc[nH]1

Name:

methyl 1H-imidazole-5-carboxylate;
(4-SULFAMOYLPHENYLETHYLTHIOUREIDO)FLUORESCEIN

ChEMBL:

CHEMBL1866040

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).