BioLiP

PDB

BioLiP

PDB CCD ID:

V6X

Number of entries in BioLiP:

Chemical formula:

C21 H16 N4 O2

InChI:

InChI=1S/C21H16N4O2/c1-13-11-15(27-21-17-6-10-26-18(17)5-7-23-21)3-4-16(13)20-14(2)24-12-19-22-8-9-25(19)20/h3-12H,1-2H3

InChIKey:

HWAIAGZSWHOLLK-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cc(ccc1c2c(ncc3n2ccn3)C)Oc4c5ccoc5ccn4
CACTVS 3.385	Cc1cc(Oc2nccc3occc23)ccc1c4n5ccnc5cnc4C

Name:

4-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]furo[3,2-c]pyridine;
PF-6142

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).