BioLiP

PDB

BioLiP

PDB CCD ID:

JGM

Number of entries in BioLiP:

Chemical formula:

C11 H15 N3 O3

InChI:

InChI=1S/C11H15N3O3/c1-7(15)13-10(11(17)14-12)6-8-2-4-9(16)5-3-8/h2-5,10,16H,6,12H2,1H3,(H,13,15)(H,14,17)/t10-/m0/s1

InChIKey:

CRZZRSWETKBGET-JTQLQIEISA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)NN
CACTVS 3.385	CC(=O)N[CH](Cc1ccc(O)cc1)C(=O)NN
CACTVS 3.385	CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NN
ACDLabs 12.01	c1(ccc(CC(NC(C)=O)C(=O)NN)cc1)O
OpenEye OEToolkits 2.0.6	CC(=O)NC(Cc1ccc(cc1)O)C(=O)NN

Name:

{N}-[(2~{S})-1-diazanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]ethanamide

ZINC:

ZINC000000394739

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).