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BioLiP

PDB CCD ID: WG3
Number of entries in BioLiP: 1
Chemical formula: C18 H17 N3 O4
InChI: InChI=1S/C18H17N3O4/c22-16(11-5-3-6-12(11)18(23)24)19-14-7-2-1-4-13(14)17-20-15(21-25-17)10-8-9-10/h1-2,4,7,10H,3,5-6,8-9H2,(H,19,22)(H,23,24)
InChIKey: TZPBRECIFDSTLA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(c(c1)c2nc(no2)C3CC3)NC(=O)C4=C(CCC4)C(=O)O
ACDLabs 12.01O=C(O)C=1CCCC=1C(=O)Nc1ccccc1c1nc(no1)C1CC1
CACTVS 3.385OC(=O)C1=C(CCC1)C(=O)Nc2ccccc2c3onc(n3)C4CC4
Name:2-{[(2M)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl}cyclopent-1-ene-1-carboxylic acid
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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