BioLiP

PDB

BioLiP

PDB CCD ID:

W5A

Number of entries in BioLiP:

Chemical formula:

C10 H10 N6 S

InChI:

InChI=1S/C10H10N6S/c1-6-15-7(3-17-6)2-16-5-14-9(11)8-10(16)13-4-12-8/h3-5H,2,11H2,1H3

InChIKey:

RQKKPLMKELKMJU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1nc(cs1)Cn2cnc(c-3ncnc23)N
CACTVS 3.385	Cc1scc(Cn2cnc(N)c3ncnc23)n1
ACDLabs 12.01	c1(csc(n1)C)CN2C=3C(=C(N)N=C2)N=CN=3

Name:

3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-purin-6-amine

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).