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BioLiP

PDB CCD ID: MFZ
Number of entries in BioLiP: 2
Chemical formula: C11 H7 Cl2 N O
InChI: InChI=1S/C11H7Cl2NO/c12-8-3-4-9(13)11-10(8)7(6-14-11)2-1-5-15/h3-4,6,14-15H,5H2
InChIKey: VIZAOCOKGQUJRZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(c2c(c1Cl)c(c[nH]2)C#CCO)Cl
CACTVS 3.385OCC#Cc1c[nH]c2c(Cl)ccc(Cl)c12
Name:3-(4,7-dichloro-1H-indol-3-yl)prop-2-yn-1-ol
ZINC: ZINC000263621124
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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