BioLiP

PDB

BioLiP

PDB CCD ID:

WK5

Number of entries in BioLiP:

Chemical formula:

C20 H18 N O4

InChI:

InChI=1S/C20H18NO4/c1-12-10-18-19(16-11-15(24-3)8-9-17(16)25-18)20(21(12)22)13-4-6-14(23-2)7-5-13/h4-11,22H,1-3H3

InChIKey:

KFTZMBXBOCZEMA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1ccc(cc1)c2c3c(oc4ccc(OC)cc34)cc(C)[n]2O
OpenEye OEToolkits 2.0.7	CC1=Cc2c(c3cc(ccc3o2)OC)C(=[N]1O)c4ccc(cc4)OC

Name:

8-methoxy-1-(4-methoxyphenyl)-3-methyl-2-oxidanyl-[1]benzofuro[3,2-c]pyridine

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).