BioLiP

PDB

BioLiP

PDB CCD ID:

J2W

Number of entries in BioLiP:

Chemical formula:

C15 H15 N3 O3

InChI:

InChI=1S/C15H15N3O3/c1-21-12-4-2-3-11(13(12)19)15(20)18-10-7-5-9(6-8-10)14(16)17/h2-8,19H,1H3,(H3,16,17)(H,18,20)

InChIKey:

FRAFAKWXNNKJCF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	[H]/N=C(/c1ccc(cc1)NC(=O)c2cccc(c2O)OC)\N
OpenEye OEToolkits 2.0.6	COc1cccc(c1O)C(=O)Nc2ccc(cc2)C(=N)N
CACTVS 3.385	COc1cccc(c1O)C(=O)Nc2ccc(cc2)C(N)=N

Name:

~{N}-(4-carbamimidoylphenyl)-3-methoxy-2-oxidanyl-benzamide

ChEMBL:

CHEMBL4476246

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).