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BioLiP

PDB CCD ID: U2K
Number of entries in BioLiP: 2
Chemical formula: C16 H15 N3 O2
InChI: InChI=1S/C16H15N3O2/c1-10-15(16-19(17-10)7-8-21-16)13-9-18(11(2)20)14-6-4-3-5-12(13)14/h3-6,9H,7-8H2,1-2H3
InChIKey: RVHAVBXZRUCGCC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1c(c2n(n1)CCO2)c3cn(c4c3cccc4)C(=O)C
CACTVS 3.385CC(=O)n1cc(c2ccccc12)c3c(C)nn4CCOc34
Name:1-[3-(6-Methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)indol-1-yl]ethanone
ChEMBL: CHEMBL3809834
ZINC: ZINC000653836241
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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