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BioLiP

PDB CCD ID: A1INL
Number of entries in BioLiP: 2
Chemical formula: C29 H40 N4 O6
InChI: InChI=1S/C29H40N4O6/c1-36-24-17-21-18-25(27(24)37-2)38-16-14-32-19-22(30-31-32)11-8-15-39-29(35)23-12-6-7-13-33(23)28(34)26(21)20-9-4-3-5-10-20/h17-20,23,26H,3-16H2,1-2H3/t23-,26-/m0/s1
InChIKey: FTHNNQPRXNQXHW-OZXSUGGESA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1cc2cc(OCCn3cc(CCCOC(=O)[C@@H]4CCCCN4C(=O)[C@H]2C5CCCCC5)nn3)c1OC
OpenEye OEToolkits 2.0.7COc1cc2cc(c1OC)OCCn3cc(nn3)CCCOC(=O)[C@@H]4CCCCN4C(=O)[C@H]2C5CCCCC5
CACTVS 3.385COc1cc2cc(OCCn3cc(CCCOC(=O)[CH]4CCCCN4C(=O)[CH]2C5CCCCC5)nn3)c1OC
OpenEye OEToolkits 2.0.7COc1cc2cc(c1OC)OCCn3cc(nn3)CCCOC(=O)C4CCCCN4C(=O)C2C5CCCCC5
Name:2-cyclohexyl-1,19-dimethoxy-11,18-dioxa-1lambda5,19lambda5-diphospha-2-stannatetracyclo[15.3.0.01,13.04,9]icosane-3,12-dione
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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