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BioLiP

PDB CCD ID: 2UA
Number of entries in BioLiP: 0
Chemical formula: C12 H20 N2 O2
InChI: InChI=1S/C12H20N2O2/c13-10(3-4-11(15)8-1-2-8)7-9-5-6-14-12(9)16/h8-10H,1-7,13H2,(H,14,16)/t9-,10+/m0/s1
InChIKey: HBVSUDZBPRBVRU-VHSXEESVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1CNC(=O)[C@@H]1C[C@@H](CCC(=O)C2CC2)N
OpenEye OEToolkits 1.7.0C1CC1C(=O)CCC(CC2CCNC2=O)N
CACTVS 3.370N[CH](CCC(=O)C1CC1)C[CH]2CCNC2=O
ACDLabs 12.01O=C1NCCC1CC(N)CCC(=O)C2CC2
CACTVS 3.370N[C@H](CCC(=O)C1CC1)C[C@@H]2CCNC2=O
Name:(3S)-3-[(2R)-2-amino-5-cyclopropyl-5-oxopentyl]pyrrolidin-2-one
ZINC: ZINC000098208290
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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