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BioLiP

PDB CCD ID: IYJ
Number of entries in BioLiP: 2
Chemical formula: C9 H7 Cl2 N5
InChI: InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
InChIKey: PYZRQGJRPPTADH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c(c(c1)Cl)Cl)c2c(nc(nn2)N)N
ACDLabs 12.01Clc1cccc(c1Cl)c1nnc(N)nc1N
CACTVS 3.385Nc1nnc(c(N)n1)c2cccc(Cl)c2Cl
Name:(6M)-6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine
ChEMBL: CHEMBL741
DrugBank: DB00555
ZINC: ZINC000000013156
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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