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BioLiP

PDB CCD ID: 34L
Number of entries in BioLiP: 1
Chemical formula: C13 H8 N4 O S
InChI: InChI=1S/C13H8N4OS/c18-13-8(3-7-4-14-5-15-7)11-9(17-13)1-2-10-12(11)19-6-16-10/h1-6H,(H,14,15)(H,17,18)/b8-3-
InChIKey: VFBGXTUGODTSPK-BAQGIRSFSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc2c(c3c1ncs3)C(=Cc4cnc[nH]4)C(=O)N2
ACDLabs 12.01O=C\1Nc4c(C/1=C\c2cncn2)c3scnc3cc4
OpenEye OEToolkits 1.7.6c1cc2c(c3c1ncs3)/C(=C/c4cnc[nH]4)/C(=O)N2
CACTVS 3.385O=C1Nc2ccc3ncsc3c2C1=Cc4[nH]cnc4
CACTVS 3.385O=C1Nc2ccc3ncsc3c2/C1=C/c4[nH]cnc4
Name:(8Z)-8-(1H-imidazol-5-ylmethylidene)-6,8-dihydro-7H-[1,3]thiazolo[5,4-e]indol-7-one
ChEMBL: CHEMBL235641
ZINC: ZINC000004908387
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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