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BioLiP

PDB CCD ID: F6K
Number of entries in BioLiP: 6
Chemical formula: C16 H24 Cl N O4
InChI: InChI=1S/C16H24ClNO4/c1-15(22)12(8-5-9-17)14(21)18-16(15,10-19)13(20)11-6-3-2-4-7-11/h3,6,10-13,20,22H,2,4-5,7-9H2,1H3,(H,18,21)/t11-,12+,13+,15+,16-/m1/s1
InChIKey: XHBWODCKUDRKAV-VRUQUDLLSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC1(C(C(=O)NC1(C=O)C(C2CCCC=C2)O)CCCCl)O
CACTVS 3.385C[C@]1(O)[C@@H](CCCCl)C(=O)N[C@]1(C=O)[C@@H](O)[C@H]2CCCC=C2
OpenEye OEToolkits 2.0.6C[C@@]1([C@H](C(=O)N[C@]1(C=O)[C@H]([C@H]2CCCC=C2)O)CCCCl)O
CACTVS 3.385C[C]1(O)[CH](CCCCl)C(=O)N[C]1(C=O)[CH](O)[CH]2CCCC=C2
Name:Homosalinosporamide A - bound form
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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