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BioLiP

PDB CCD ID: SF7
Number of entries in BioLiP: 1
Chemical formula: C16 H20 F N3 O3
InChI: InChI=1S/C16H20FN3O3/c1-2-3-4-12(10-15(21)19-22)16-18-14(20-23-16)9-11-5-7-13(17)8-6-11/h5-8,12,22H,2-4,9-10H2,1H3,(H,19,21)/t12-/m1/s1
InChIKey: NPHICFLHFQUZKX-GFCCVEGCSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4CCCC[C@H](CC(=O)NO)c1nc(no1)Cc2ccc(cc2)F
CACTVS 3.385CCCC[C@H](CC(=O)NO)c1onc(Cc2ccc(F)cc2)n1
OpenEye OEToolkits 2.0.4CCCCC(CC(=O)NO)c1nc(no1)Cc2ccc(cc2)F
ACDLabs 12.01O=C(CC(c1nc(no1)Cc2ccc(cc2)F)CCCC)NO
CACTVS 3.385CCCC[CH](CC(=O)NO)c1onc(Cc2ccc(F)cc2)n1
Name:(3R)-3-{3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl}-N-hydroxyheptanamide
ZINC: ZINC000203341391
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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