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BioLiP

PDB CCD ID: LX6
Number of entries in BioLiP: 2
Chemical formula: C9 H10 N2 S
InChI: InChI=1S/C9H10N2S/c10-5-7-6-3-1-2-4-8(6)12-9(7)11/h1-4,11H2
InChIKey: ADHVMGAFAKSNOM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1sc2CCCCc2c1C#N
ACDLabs 12.01N#Cc1c2CCCCc2sc1N
OpenEye OEToolkits 2.0.7C1CCc2c(c(c(s2)N)C#N)C1
Name:2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
ChEMBL: CHEMBL1632047
ZINC: ZINC000000126979
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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