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BioLiP

PDB CCD ID: P6B
Number of entries in BioLiP: 1
Chemical formula: C13 H15 N3 O2
InChI: InChI=1S/C13H15N3O2/c17-11-6-7-16(8-11)9-12-14-13(15-18-12)10-4-2-1-3-5-10/h1-5,11,17H,6-9H2/t11-/m0/s1
InChIKey: FQHRNVUXCKTULP-NSHDSACASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(cc1)c2nc(on2)CN3CCC(C3)O
CACTVS 3.385O[CH]1CCN(C1)Cc2onc(n2)c3ccccc3
CACTVS 3.385O[C@H]1CCN(C1)Cc2onc(n2)c3ccccc3
ACDLabs 12.01C3CN(Cc1onc(n1)c2ccccc2)CC3O
OpenEye OEToolkits 1.7.6c1ccc(cc1)c2nc(on2)CN3CC[C@@H](C3)O
Name:(3S)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
ZINC: ZINC000061708856
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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