BioLiP

PDB

BioLiP

PDB CCD ID:

RHW

Number of entries in BioLiP:

Chemical formula:

C13 H11 N3 O

InChI:

InChI=1S/C13H11N3O/c14-12-6-10(7-13(15)16-12)8-1-2-11-9(5-8)3-4-17-11/h1-7H,(H4,14,15,16)

InChIKey:

GMWUNXLQEKAPBL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1cc(cc(N)n1)c2ccc3occc3c2
OpenEye OEToolkits 2.0.7	c1cc2c(cco2)cc1c3cc(nc(c3)N)N

Name:

4-(1-benzofuran-5-yl)pyridine-2,6-diamine

ChEMBL:

CHEMBL5092362

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).