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BioLiP

PDB CCD ID: SBP
Number of entries in BioLiP: 1
Chemical formula: C6 H15 B N3 O3
InChI: InChI=1S/C6H14BN3O3/c8-6(9)10-2-1-3-11-7-12-4-5-13-7/h1-5H2,(H4,8,9,10)/p+1
InChIKey: QHANCKHXGBJANE-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0B1(OCCO1)OCCCNC(=[NH2+])N
CACTVS 3.341NC(=[NH2+])NCCCOB1OCCO1
ACDLabs 10.04O(B1OCCO1)CCCNC(=[NH2+])\N
Name:[3-(1,3,2-DIOXABOROLAN-2-YLOXY)PROPYL]GUANIDINE
DrugBank: DB03129
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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