BioLiP

PDB

BioLiP

PDB CCD ID:

WP1

Number of entries in BioLiP:

Chemical formula:

C11 H13 N O2

InChI:

InChI=1S/C11H13NO2/c1-11(2)6-7-4-3-5-8(10(12)13)9(7)14-11/h3-5H,6H2,1-2H3,(H2,12,13)

InChIKey:

XEJUYZUPHDEACN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CC1(Cc2cccc(c2O1)C(=O)N)C
CACTVS 3.385	CC1(C)Cc2cccc(C(N)=O)c2O1
ACDLabs 12.01	C1C(C)(C)Oc2c1cccc2C(N)=O

Name:

2,2-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide

ZINC:

ZINC000013466591

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).