BioLiP

PDB

BioLiP

PDB CCD ID:

6NY

Number of entries in BioLiP:

Chemical formula:

C17 H20 N2 O4

InChI:

InChI=1S/C17H20N2O4/c1-11(20)12-7-8-15(18-22)16(10-12)23-14-6-4-5-13(9-14)17(21)19(2)3/h4-11,18,20,22H,1-3H3/t11-/m0/s1

InChIKey:

YIOUWEBZKIOOOI-NSHDSACASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	CC(c1ccc(c(c1)Oc2cccc(c2)C(=O)N(C)C)NO)O
CACTVS 3.385	C[C@H](O)c1ccc(NO)c(Oc2cccc(c2)C(=O)N(C)C)c1
CACTVS 3.385	C[CH](O)c1ccc(NO)c(Oc2cccc(c2)C(=O)N(C)C)c1
OpenEye OEToolkits 2.0.4	C[C@@H](c1ccc(c(c1)Oc2cccc(c2)C(=O)N(C)C)NO)O
ACDLabs 12.01	O=C(N(C)C)c2cc(Oc1cc(C(C)O)ccc1NO)ccc2

Name:

3-{2-(hydroxyamino)-5-[(1S)-1-hydroxyethyl]phenoxy}-N,N-dimethylbenzamide

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).