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BioLiP

PDB CCD ID: ID1
Number of entries in BioLiP: 27
Chemical formula: C12 H19 N3 O4 S
InChI: InChI=1S/C12H19N3O4S/c1-7(17)8(5-16)9-4-10(11(15-9)12(18)19)20-3-2-14-6-13/h5-10,17H,2-4H2,1H3,(H2,13,14)(H,18,19)/t7-,8-,9-,10-/m1/s1
InChIKey: NIJGFQHESQFJAG-ZYUZMQFOSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[CH](O)[CH](C=O)[CH]1C[CH](SCCN=CN)C(=N1)C(O)=O
OpenEye OEToolkits 2.0.4CC(C(C=O)C1CC(C(=N1)C(=O)O)SCCN=CN)O
OpenEye OEToolkits 2.0.4C[C@H]([C@@H](C=O)[C@H]1C[C@H](C(=N1)C(=O)O)SCC/N=C\N)O
CACTVS 3.385C[C@@H](O)[C@@H](C=O)[C@H]1C[C@@H](SCCN=CN)C(=N1)C(O)=O
Name: Imipenem
ZINC: ZINC000584905603
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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