BioLiP

PDB

BioLiP

PDB CCD ID:

QCP

Number of entries in BioLiP:

Chemical formula:

C18 H20 N2 O3

InChI:

InChI=1S/C18H20N2O3/c1-12(2)16(13-6-4-3-5-7-13)18(22)19-15-10-8-14(9-11-15)17(21)20-23/h3-12,16,23H,1-2H3,(H,19,22)(H,20,21)/t16-/m0/s1

InChIKey:

LAMIXXKAWNLXOC-INIZCTEOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C)C(c1ccccc1)C(=O)Nc2ccc(cc2)C(=O)NO
CACTVS 3.385	CC(C)[CH](C(=O)Nc1ccc(cc1)C(=O)NO)c2ccccc2
CACTVS 3.385	CC(C)[C@H](C(=O)Nc1ccc(cc1)C(=O)NO)c2ccccc2
OpenEye OEToolkits 2.0.7	CC(C)[C@@H](c1ccccc1)C(=O)Nc2ccc(cc2)C(=O)NO
ACDLabs 12.01	C(C)(C(c1ccccc1)C(Nc2ccc(C(NO)=O)cc2)=O)C

Name:

AR-42;
N-hydroxy-4-{[(2S)-3-methyl-2-phenylbutanoyl]amino}benzamide

ChEMBL:

CHEMBL191482

DrugBank:

DB12707

ZINC:

ZINC000013671721

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).