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BioLiP Library

PDB CCD ID: 4AJ
Number of entries in BioLiP: 2
Chemical formula: C14 H8 Cl2 N2 O3
InChI: InChI=1S/C14H8Cl2N2O3/c15-10-5-8(6-11(16)12(10)20)14-18-17-13(21-14)7-2-1-3-9(19)4-7/h1-6,19-20H
InChIKey: XNFPUJQYKUISED-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1cccc(c1)c2oc(nn2)c3cc(Cl)c(O)c(Cl)c3
OpenEye OEToolkits 1.9.2c1cc(cc(c1)O)c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl
ACDLabs 12.01Clc3c(O)c(Cl)cc(c1nnc(o1)c2cccc(O)c2)c3
Name:2,6-dichloro-4-[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
ZINC: ZINC000263621226
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)(download the PDF file).
  • 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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