SEQ2FUN

BioLiP

PDB CCD ID: TZC
Number of entries in BioLiP: 2
Chemical formula: C3 H6 N5
InChI: InChI=1S/C3H5N5/c4-3(5)8-2-6-1-7-8/h1-2H,(H3,4,5)/p+1
InChIKey: CDIOIIJXUJXYPB-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ncn(n1)C(=[NH2+])N
CACTVS 3.341NC(=[NH2+])n1cncn1
ACDLabs 10.04n1cnn(C(=[NH2+])\N)c1
Name:1,2,4-TRIAZOLE-CARBOXAMIDINE
DrugBank: DB02048
ZINC: ZINC000162503468
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).