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BioLiP

PDB CCD ID: H05
Number of entries in BioLiP: 1
Chemical formula: C12 H13 N5
InChI: InChI=1S/C12H13N5/c1-2-5-10-14-9-7-4-3-6-8(9)11-15-12(13)16-17(10)11/h3-4,6-7H,2,5H2,1H3,(H2,13,16)
InChIKey: WFRPCMTYTZUBRF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCCc1nc2ccccc2c3n1nc(n3)N
CACTVS 3.385CCCc1nc2ccccc2c3nc(N)nn13
ACDLabs 12.01n1c(n3nc(nc3c2c1cccc2)N)CCC
Name:5-propyl[1,2,4]triazolo[1,5-c]quinazolin-2-amine
ChEMBL: CHEMBL1603585
ZINC: ZINC000000469823
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).
  • 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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