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BioLiP

PDB CCD ID: W57
Number of entries in BioLiP: 1
Chemical formula: C10 H10 N6 O2
InChI: InChI=1S/C10H10N6O2/c1-17-7-2-6(18-15-7)3-16-5-14-9(11)8-10(16)13-4-12-8/h2,4-5H,3,11H2,1H3
InChIKey: QLMLRFCQHHBNLC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1cc(on1)Cn2cnc(c-3ncnc23)N
CACTVS 3.385COc1cc(Cn2cnc(N)c3ncnc23)on1
ACDLabs 12.01c3(CN2C=NC(=C1N=CN=C12)N)onc(c3)OC
Name:3-[(3-methoxy-1,2-oxazol-5-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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