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BioLiP

PDB CCD ID: 7JT
Number of entries in BioLiP: 1
Chemical formula: C19 H23 N3 O5
InChI: InChI=1S/C19H23N3O5/c23-18(21-24)10-14(7-12-3-1-2-4-12)19-20-17(22-27-19)9-13-5-6-15-16(8-13)26-11-25-15/h5-6,8,12,14,24H,1-4,7,9-11H2,(H,21,23)/t14-/m1/s1
InChIKey: XOZSWEYBEQSKBV-CQSZACIVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1cc2c(cc1Cc3nc(on3)[C@H](CC4CCCC4)CC(=O)NO)OCO2
ACDLabs 12.01N(C(CC(c1onc(n1)Cc2cc3c(cc2)OCO3)CC4CCCC4)=O)O
OpenEye OEToolkits 2.0.4c1cc2c(cc1Cc3nc(on3)C(CC4CCCC4)CC(=O)NO)OCO2
CACTVS 3.385ONC(=O)C[CH](CC1CCCC1)c2onc(Cc3ccc4OCOc4c3)n2
CACTVS 3.385ONC(=O)C[C@@H](CC1CCCC1)c2onc(Cc3ccc4OCOc4c3)n2
Name:(3R)-3-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazol-5-yl}-4-cyclopentyl-N-hydroxybutanamide
ZINC: ZINC000584905469
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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