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BioLiP

PDB CCD ID: SLR
Number of entries in BioLiP: 2
Chemical formula: C10 H17 N O5
InChI: InChI=1S/C10H17NO5/c1-4(2)6(12)10(9(15)16)7(13)5(3)8(14)11-10/h4-7,12-13H,1-3H3,(H,11,14)(H,15,16)/t5-,6+,7-,10-/m1/s1
InChIKey: USVJHCXEVSVUEZ-JTGULSINSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@@H]1[C@H]([C@](NC1=O)([C@H](C(C)C)O)C(=O)O)O
CACTVS 3.341CC(C)[C@H](O)[C@]1(NC(=O)[C@H](C)[C@H]1O)C(O)=O
ACDLabs 10.04O=C1NC(C(=O)O)(C(O)C1C)C(O)C(C)C
OpenEye OEToolkits 1.5.0CC1C(C(NC1=O)(C(C(C)C)O)C(=O)O)O
CACTVS 3.341CC(C)[CH](O)[C]1(NC(=O)[CH](C)[CH]1O)C(O)=O
Name:(3R,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxo-D-proline
ZINC: ZINC000058638563
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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