BioLiP

PDB

BioLiP

PDB CCD ID:

65O

Number of entries in BioLiP:

Chemical formula:

C17 H14 N4 S2

InChI:

InChI=1S/C17H14N4S2/c1-9-13-14(18)20-17(19)21-15(13)23-16(9)22-12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3,(H4,18,19,20,21)

InChIKey:

DSWPJTXRDPNDRO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1c(Sc2cccc3ccccc23)sc4nc(N)nc(N)c14
ACDLabs 12.01	c12nc(nc(c1c(C)c(s2)Sc4c3ccccc3ccc4)N)N
OpenEye OEToolkits 2.0.4	Cc1c2c(nc(nc2sc1Sc3cccc4c3cccc4)N)N

Name:

5-methyl-6-(naphthalen-1-ylsulfanyl)thieno[2,3-d]pyrimidine-2,4-diamine

ZINC:

ZINC000584905189

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).