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BioLiP

PDB CCD ID: 3D8
Number of entries in BioLiP: 1
Chemical formula: C11 H9 N5
InChI: InChI=1S/C11H9N5/c1-3-9(7-12-5-1)15-11-10-4-2-6-16(10)14-8-13-11/h1-8H,(H,13,14,15)
InChIKey: KTWGHBNFKBORPM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N(c1cccnc1)c2ncnn3cccc23
ACDLabs 12.01n1c(c2cccn2nc1)Nc3cccnc3
OpenEye OEToolkits 1.9.2c1cc(cnc1)Nc2c3cccn3ncn2
Name:N-(pyridin-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
ChEMBL: CHEMBL3326654
ZINC: ZINC000098208427
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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