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BioLiP

PDB CCD ID: 2WE
Number of entries in BioLiP: 2
Chemical formula: C14 H14 N4 O3 S
InChI: InChI=1S/C14H14N4O3S/c1-21-13-10(11(15)19)22-14(18-13)8-4-5-16-9(6-8)17-12(20)7-2-3-7/h4-7H,2-3H2,1H3,(H2,15,19)(H,16,17,20)
InChIKey: CYADPSMQNARVII-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1nc(sc1C(N)=O)c2ccnc(NC(=O)C3CC3)c2
OpenEye OEToolkits 2.0.7COc1c(sc(n1)c2ccnc(c2)NC(=O)C3CC3)C(=O)N
Name:2-[2-(cyclopropylcarbonylamino)pyridin-4-yl]-4-methoxy-1,3-thiazole-5-carboxamide
ChEMBL: CHEMBL3410089
ZINC: ZINC000215475351
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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