BioLiP

PDB

BioLiP

PDB CCD ID:

FL4

Number of entries in BioLiP:

Chemical formula:

C18 H12 F2 N4 O

InChI:

InChI=1S/C18H12F2N4O/c1-10-4-2-3-5-12(10)16-13-9-21-18(22-17(13)24-23-16)25-15-7-6-11(19)8-14(15)20/h2-9H,1H3,(H,21,22,23,24)

InChIKey:

MWRHZZFHXSJLGY-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	Fc4ccc(Oc1ncc2c(n1)nnc2c3ccccc3C)c(F)c4
OpenEye OEToolkits 1.5.0	Cc1ccccc1c2c3cnc(nc3[nH]n2)Oc4ccc(cc4F)F
CACTVS 3.341	Cc1ccccc1c2n[nH]c3nc(Oc4ccc(F)cc4F)ncc23

Name:

6-(2,4-difluorophenoxy)-3-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine

ZINC:

ZINC000058633489

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).