BioLiP

PDB

BioLiP

PDB CCD ID:

UO1

Number of entries in BioLiP:

Chemical formula:

C19 H18 N2 O3

InChI:

InChI=1S/C19H18N2O3/c1-12-8-9-15(24)10-18(12)21(14(3)23)19-11-20(13(2)22)17-7-5-4-6-16(17)19/h4-11,24H,1-3H3

InChIKey:

NXETYAFZIDRMKK-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)n1cc(N(C(C)=O)c2cc(O)ccc2C)c3ccccc13
ACDLabs 12.01	CC(=O)n1c3c(c(c1)N(c2cc(ccc2C)O)C(C)=O)cccc3
OpenEye OEToolkits 1.9.2	Cc1ccc(cc1N(c2cn(c3c2cccc3)C(=O)C)C(=O)C)O

Name:

N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide

ChEMBL:

CHEMBL3810055

ZINC:

ZINC000263620811

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).