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BioLiP Library

PDB CCD ID: WOD
Number of entries in BioLiP: 1
Chemical formula: C9 H13 N3 O
InChI: InChI=1S/C9H13N3O/c1-2-6(1)8-11-9(13-12-8)7-3-4-10-5-7/h6-7,10H,1-5H2/t7-/m1/s1
InChIKey: UHWKRAJPWOGTQP-SSDOTTSWSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C1C(CNC1)c3onc(C2CC2)n3
OpenEye OEToolkits 2.0.7C1CC1c2nc(on2)C3CCNC3
CACTVS 3.385C1C[C@H](CN1)c2onc(n2)C3CC3
CACTVS 3.385C1C[CH](CN1)c2onc(n2)C3CC3
OpenEye OEToolkits 2.0.7C1CNC[C@@H]1c2nc(no2)C3CC3
Name:3-cyclopropyl-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
ZINC: ZINC000062119632
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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