BioLiP

PDB

BioLiP

PDB CCD ID:

84R

Number of entries in BioLiP:

Chemical formula:

C16 H16 N4 O2 S

InChI:

InChI=1S/C16H16N4O2S/c17-11-7-10(8-12(21)9-11)15-18-13-1-6-23-14(13)16(19-15)20-2-4-22-5-3-20/h1,6-9,21H,2-5,17H2

InChIKey:

GTKGIORNQYOWBR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1csc2c1nc(nc2N3CCOCC3)c4cc(cc(c4)O)N
CACTVS 3.385	Nc1cc(O)cc(c1)c2nc3ccsc3c(n2)N4CCOCC4

Name:

3-azanyl-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol

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).