SEQ2FUN

BioLiP

PDB CCD ID: LM9
Number of entries in BioLiP: 1
Chemical formula: C13 H8 Cl2 N4 O
InChI: InChI=1S/C13H8Cl2N4O/c14-8-5-6-12(10(15)7-8)20-11-4-2-1-3-9(11)13-16-18-19-17-13/h1-7H,(H,16,17,18,19)
InChIKey: NUYWOTGHOXXCLV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1ccc(Oc2ccccc2c3n[nH]nn3)c(Cl)c1
OpenEye OEToolkits 2.0.7c1ccc(c(c1)c2n[nH]nn2)Oc3ccc(cc3Cl)Cl
ACDLabs 12.01Clc1ccc(Oc2ccccc2c2n[NH]nn2)c(Cl)c1
Name:(5P)-5-[2-(2,4-dichlorophenoxy)phenyl]-2H-tetrazole
ZINC: ZINC000000142524
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).