BioLiP

PDB

BioLiP

PDB CCD ID:

M8G

Number of entries in BioLiP:

Chemical formula:

C22 H18 N2 O4

InChI:

InChI=1S/C22H18N2O4/c25-21(24-27)15-14-16-8-4-6-12-19(16)23-22(26)18-11-5-7-13-20(18)28-17-9-2-1-3-10-17/h1-15,27H,(H,23,26)(H,24,25)/b15-14+

InChIKey:

URROCBSFNUKVTR-CCEZHUSRSA-N

SMILES:

Software	SMILES
CACTVS 3.385	ONC(=O)/C=C/c1ccccc1NC(=O)c2ccccc2Oc3ccccc3
OpenEye OEToolkits 2.0.7	c1ccc(cc1)Oc2ccccc2C(=O)Nc3ccccc3C=CC(=O)NO
ACDLabs 12.01	c1cc(ccc1)Oc2ccccc2C(Nc3ccccc3\C=C\C(=O)NO)=O
OpenEye OEToolkits 2.0.7	c1ccc(cc1)Oc2ccccc2C(=O)Nc3ccccc3/C=C/C(=O)NO
CACTVS 3.385	ONC(=O)C=Cc1ccccc1NC(=O)c2ccccc2Oc3ccccc3

Name:

N-{2-[(1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}-2-phenoxybenzamide

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).