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BioLiP Library

PDB CCD ID: ZW3
Number of entries in BioLiP: 1
Chemical formula: C13 H10 N4 O3 S
InChI: InChI=1S/C13H10N4O3S/c1-7(18)14-10-6-17-5-8(2-3-11(17)15-10)4-9-12(19)16-13(20)21-9/h2-6H,1H3,(H,14,18)(H,16,19,20)/b9-4-
InChIKey: CCECKHDWHUIQQG-WTKPLQERSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)Nc1cn2cc(ccc2n1)C=C3SC(=O)NC3=O
CACTVS 3.385CC(=O)Nc1cn2cc(ccc2n1)\C=C3/SC(=O)NC3=O
OpenEye OEToolkits 1.9.2CC(=O)Nc1cn2cc(ccc2n1)C=C3C(=O)NC(=O)S3
OpenEye OEToolkits 1.9.2CC(=O)Nc1cn2cc(ccc2n1)/C=C\3/C(=O)NC(=O)S3
ACDLabs 12.01O=C1C(\SC(=O)N1)=C\c3ccc2nc(NC(=O)C)cn2c3
Name:N-{6-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]imidazo[1,2-a]pyridin-2-yl}acetamide
ChEMBL: CHEMBL1914475
ZINC: ZINC000073162622
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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