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BioLiP Library

PDB CCD ID: F9Y
Number of entries in BioLiP: 4
Chemical formula: C9 H6 N2
InChI: InChI=1S/C9H6N2/c10-6-7-1-2-8-3-4-11-9(8)5-7/h1-5,11H
InChIKey: SZSZDBFJCQKTRG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N#Cc1ccc2cc[nH]c2c1
OpenEye OEToolkits 2.0.6c1cc(cc2c1cc[nH]2)C#N
ACDLabs 12.01C(c2ccc1ccnc1c2)#N
Name:1H-indole-6-carbonitrile
ZINC: ZINC000002566051
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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