BioLiP

PDB

BioLiP

PDB CCD ID:

4G5

Number of entries in BioLiP:

Chemical formula:

C14 H14 N4 O4

InChI:

InChI=1S/C14H14N4O4/c1-18(7-9(15)19)13(20)10-11(14(21)22)17-12(16-10)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,15,19)(H,16,17)(H,21,22)

InChIKey:

IKAWXRIWROBKBL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.6.1	CN(CC(=O)N)C(=O)c1c([nH]c(n1)c2ccccc2)C(=O)O
ACDLabs 10.04	O=C(N)CN(C(=O)c2nc(c1ccccc1)nc2C(=O)O)C
CACTVS 3.352	CN(CC(N)=O)C(=O)c1nc([nH]c1C(O)=O)c2ccccc2

Name:

4-[(2-amino-2-oxoethyl)(methyl)carbamoyl]-2-phenyl-1H-imidazole-5-carboxylic acid

ChEMBL:

CHEMBL1230285

ZINC:

ZINC000058626952

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).