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BioLiP

PDB CCD ID: RYQ
Number of entries in BioLiP: 1
Chemical formula: C10 H11 N7 S
InChI: InChI=1S/C10H11N7S/c1-5-14-6(3-18-5)2-17-4-13-7-8(11)15-10(12)16-9(7)17/h3-4H,2H2,1H3,(H4,11,12,15,16)
InChIKey: INTFUQJSFGYBOV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1scc(Cn2cnc3c(N)nc(N)nc23)n1
OpenEye OEToolkits 2.0.7Cc1nc(cs1)Cn2cnc3c2nc(nc3N)N
ACDLabs 12.01Cc1nc(Cn2cnc3c(N)nc(N)nc23)cs1
Name:9-[(2-methyl-1,3-thiazol-4-yl)methyl]-9H-purine-2,6-diamine
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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