SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C15 H9 N O3

InChI:

InChI=1S/C15H9NO3/c16-8-11-6-13(18)5-10-7-14(19-15(10)11)9-1-3-12(17)4-2-9/h1-7,17-18H

InChIKey:

GGEKOZPXKBYLNK-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	Oc1ccc(cc1)c2oc3c(cc(O)cc3C#N)c2
ACDLabs 10.04	N#Cc3cc(O)cc1c3oc(c1)c2ccc(O)cc2
OpenEye OEToolkits 1.5.0	c1cc(ccc1c2cc3cc(cc(c3o2)C#N)O)O

Name:

5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-CARBONITRILE

ChEMBL:

DrugBank:

ZINC:

ZINC000016051646

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).