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BioLiP

PDB CCD ID: W5A
Number of entries in BioLiP: 1
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:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1nc(cs1)Cn2cnc(c-3ncnc23)N
CACTVS 3.385Cc1scc(Cn2cnc(N)c3ncnc23)n1
ACDLabs 12.01c1(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, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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