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BioLiP

PDB CCD ID: SF5
Number of entries in BioLiP: 1
Chemical formula: C18 H23 N3 O5
InChI: InChI=1S/C18H23N3O5/c1-3-4-5-14(11-16(22)20-24)17-19-15(21-26-17)10-12-6-8-13(9-7-12)18(23)25-2/h6-9,14,24H,3-5,10-11H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKey: PKBQPXFVXNPVJM-CQSZACIVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4CCCC[C@H](CC(=O)NO)c1nc(no1)Cc2ccc(cc2)C(=O)OC
CACTVS 3.385CCCC[C@H](CC(=O)NO)c1onc(Cc2ccc(cc2)C(=O)OC)n1
CACTVS 3.385CCCC[CH](CC(=O)NO)c1onc(Cc2ccc(cc2)C(=O)OC)n1
OpenEye OEToolkits 2.0.4CCCCC(CC(=O)NO)c1nc(no1)Cc2ccc(cc2)C(=O)OC
ACDLabs 12.01N(C(CC(c1onc(n1)Cc2ccc(cc2)C(=O)OC)CCCC)=O)O
Name:methyl 4-({5-[(3R)-1-(hydroxyamino)-1-oxoheptan-3-yl]-1,2,4-oxadiazol-3-yl}methyl)benzoate
ZINC: ZINC000584905672
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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