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BioLiP

PDB CCD ID: M1W
Number of entries in BioLiP: 4
Chemical formula: C15 H16 N4 O3
InChI: InChI=1S/C15H16N4O3/c1-21-9-3-7-17-14(20)15-18-13(19-22-15)11-4-2-5-12-10(11)6-8-16-12/h2,4-6,8,16H,3,7,9H2,1H3,(H,17,20)
InChIKey: BPSPJIVDNLKGAJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6COCCCNC(=O)c1nc(no1)c2cccc3c2cc[nH]3
CACTVS 3.385COCCCNC(=O)c1onc(n1)c2cccc3[nH]ccc23
ACDLabs 12.01O=C(c1nc(no1)c3c2ccnc2ccc3)NCCCOC
Name:3-(1H-indol-4-yl)-N-(3-methoxypropyl)-1,2,4-oxadiazole-5-carboxamide
ChEMBL: CHEMBL3425952
ZINC: ZINC000012391841
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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