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BioLiP

PDB CCD ID: W4V
Number of entries in BioLiP: 1
Chemical formula: C8 H9 N5
InChI: InChI=1S/C8H9N5/c9-7-5-2-1-3-6(5)12-8-10-4-11-13(7)8/h4H,1-3,9H2
InChIKey: IMQBKTYGTJTOGV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1n2ncnc2nc3CCCc13
ACDLabs 12.01n3n2c(c1CCCc1nc2nc3)N
OpenEye OEToolkits 2.0.7c1nc2nc3c(c(n2n1)N)CCC3
Name:6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-amine
ZINC: ZINC000007636250
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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