BioLiP

PDB

BioLiP

PDB CCD ID:

VWL

Number of entries in BioLiP:

Chemical formula:

C12 H12 N2 O2

InChI:

InChI=1S/C12H12N2O2/c1-8-6-9(7-16-8)12(15)14-11-4-2-10(13)3-5-11/h2-7H,13H2,1H3,(H,14,15)

InChIKey:

GUTHXYNNQOQQPP-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1occ(c1)C(=O)Nc2ccc(N)cc2
ACDLabs 12.01	Cc1cc(co1)C(=O)Nc1ccc(N)cc1
OpenEye OEToolkits 2.0.7	Cc1cc(co1)C(=O)Nc2ccc(cc2)N

Name:

N-(4-aminophenyl)-5-methylfuran-3-carboxamide

ZINC:

ZINC000019093821

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).