BioLiP

PDB

BioLiP

PDB CCD ID:

L59

Number of entries in BioLiP:

Chemical formula:

C19 H18 N2 O4

InChI:

InChI=1S/C19H18N2O4/c1-13(22)17(19(24)21-25)20-18(23)16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-6,9-13,17,22,25H,1H3,(H,20,23)(H,21,24)/t13-,17+/m1/s1

InChIKey:

SFYISUPIFOZKLQ-DYVFJYSZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CC(C(C(=O)NO)NC(=O)c1ccc(cc1)C#Cc2ccccc2)O
CACTVS 3.370	C[CH](O)[CH](NC(=O)c1ccc(cc1)C#Cc2ccccc2)C(=O)NO
ACDLabs 12.01	O=C(NC(C(=O)NO)C(O)C)c2ccc(C#Cc1ccccc1)cc2
OpenEye OEToolkits 1.7.6	C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#Cc2ccccc2)O
CACTVS 3.370	C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#Cc2ccccc2)C(=O)NO

Name:

N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(phenylethynyl)benzamide

ZINC:

ZINC000003818659

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).