BioLiP

PDB

BioLiP

PDB CCD ID:

XXK

Number of entries in BioLiP:

Chemical formula:

C19 H17 N5 O3

InChI:

InChI=1S/C19H17N5O3/c20-12-8-11(9-13(25)10-12)17-22-15-14-2-1-3-21-19(14)27-16(15)18(23-17)24-4-6-26-7-5-24/h1-3,8-10,25H,4-7,20H2

InChIKey:

GLRIVBFMSWURTM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1cc2c3c(c(nc(n3)c4cc(cc(c4)O)N)N5CCOCC5)oc2nc1
CACTVS 3.370	Nc1cc(O)cc(c1)c2nc(N3CCOCC3)c4oc5ncccc5c4n2
ACDLabs 12.01	n1c(nc3c4cccnc4oc3c1N2CCOCC2)c5cc(N)cc(O)c5

Name:

3-amino-5-[4-(morpholin-4-yl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenol

ChEMBL:

CHEMBL3109185

ZINC:

ZINC000095920801

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).