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BioLiP

PDB CCD ID: 7WB
Number of entries in BioLiP: 24
Chemical formula: C11 H8 N2 S1
InChI: InChI=1S/C11H8N2S/c1-2-4-10-8(3-1)9(7-13-10)11-12-5-6-14-11/h1-7,12H/b11-9+
InChIKey: IUBODNCSFJZWGR-PKNBQFBNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc2c(c1)C(=C3NC=CS3)C=N2
CACTVS 3.385N1C=CSC1=C2C=Nc3ccccc23
OpenEye OEToolkits 1.7.6c1ccc2c(c1)/C(=C/3\NC=CS3)/C=N2
CACTVS 3.385N\1C=CSC\1=C/2C=Nc3ccccc/23
Name:(2Z)-2-indol-3-ylidene-3H-1,3-thiazole;
Camalexin
ZINC: ZINC000584905391
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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