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BioLiP Library

PDB CCD ID: KI9
Number of entries in BioLiP: 1
Chemical formula: C12 H4 Cl5 N O
InChI: InChI=1S/C12H4Cl5NO/c13-3-1-4-6-7(15)8(16)9(17)12(19)11(6)18-10(4)5(14)2-3/h1-2,18-19H
InChIKey: AEMWOCRPUWTJCH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352Oc1c(Cl)c(Cl)c(Cl)c2c1[nH]c3c(Cl)cc(Cl)cc23
ACDLabs 10.04Clc1c(O)c3c(c(Cl)c1Cl)c2cc(Cl)cc(Cl)c2n3
OpenEye OEToolkits 1.6.1c1c(cc(c2c1c3c([nH]2)c(c(c(c3Cl)Cl)Cl)O)Cl)Cl
Name:2,3,4,6,8-PENTACHLORO-9H-CARBAZOL-1-OL
ZINC: ZINC000066156914
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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