BioLiP

PDB

BioLiP

PDB CCD ID:

PFP

Number of entries in BioLiP:

Chemical formula:

C22 H21 N3 O4

InChI:

InChI=1S/C22H21N3O4/c1-27-16-7-3-14(4-8-16)18-19-21(23-11-12-26)24-13-25-22(19)29-20(18)15-5-9-17(28-2)10-6-15/h3-10,13,26H,11-12H2,1-2H3,(H,23,24,25)

InChIKey:

ARBUGBBNEFAECO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	COc1ccc(cc1)c2c3c(ncnc3oc2c4ccc(cc4)OC)NCCO
CACTVS 3.341	COc1ccc(cc1)c2oc3ncnc(NCCO)c3c2c4ccc(OC)cc4
ACDLabs 10.04	n1c(c2c(nc1)oc(c2c3ccc(OC)cc3)c4ccc(OC)cc4)NCCO

Name:

2-[5,6-BIS-(4-METHOXY-PHENYL)-FURO[2,3-D]PYRIMIDIN-4-YLAMINO]-ETHANOL

ChEMBL:

CHEMBL190201

DrugBank:

DB08392

ZINC:

ZINC000002501415

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).