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BioLiP

PDB CCD ID: SA1
Number of entries in BioLiP: 16
Chemical formula: C15 H21 N O4
InChI: InChI=1S/C15H21NO4/c1-14-11(7-8-20-14)13(19)16-15(14,9-17)12(18)10-5-3-2-4-6-10/h3,5,9-12,18H,2,4,6-8H2,1H3,(H,16,19)/t10-,11+,12+,14+,15-/m1/s1
InChIKey: YVABESCRHMBHJD-FUQNVFFISA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C[C]12OCC[CH]1C(=O)N[C]2(C=O)[CH](O)[CH]3CCCC=C3
OpenEye OEToolkits 1.5.0C[C@@]12[C@@H](CCO1)C(=O)N[C@]2(C=O)[C@H]([C@H]3CCCC=C3)O
OpenEye OEToolkits 1.5.0CC12C(CCO1)C(=O)NC2(C=O)C(C3CCCC=C3)O
CACTVS 3.341C[C@]12OCC[C@H]1C(=O)N[C@]2(C=O)[C@@H](O)[C@H]3CCCC=C3
ACDLabs 10.04O=C1NC(C=O)(C2(OCCC12)C)C(O)C3C=CCCC3
Name:(3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE;
Salinosporamide A, bound form
DrugBank: DB08515
ZINC: ZINC000036470930
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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