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BioLiP

PDB CCD ID: 36P
Number of entries in BioLiP: 4
Chemical formula: C16 H12 N2 O S2
InChI: InChI=1S/C16H12N2OS2/c19-16(18-7-5-11-3-1-2-4-14(11)18)13-10-21-15(17-13)12-6-8-20-9-12/h1-4,6,8-10H,5,7H2
InChIKey: IJYXCHGILIEIHU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1ccc2c(c1)CCN2C(=O)c3csc(n3)c4ccsc4
CACTVS 3.385O=C(N1CCc2ccccc12)c3csc(n3)c4cscc4
ACDLabs 12.01O=C(c1nc(sc1)c2cscc2)N4c3ccccc3CC4
Name:2,3-dihydroindol-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
ZINC: ZINC000008429509
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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