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BioLiP

PDB CCD ID: SBZ
Number of entries in BioLiP: 1
Chemical formula: C10 H14 B N2 O3
InChI: InChI=1S/C10H13BN2O3/c12-10(13)9-3-1-8(2-4-9)7-16-11-14-5-6-15-11/h1-4H,5-7H2,(H3,12,13)/p+1
InChIKey: XCLFQXCQQHVLJQ-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
ACDLabs 10.04O(B1OCCO1)Cc2ccc(C(=[NH2+])\N)cc2
CACTVS 3.341NC(=[NH2+])c1ccc(COB2OCCO2)cc1
OpenEye OEToolkits 1.5.0B1(OCCO1)OCc2ccc(cc2)C(=[NH2+])N
Name:[4-(1,3,2-DIOXABOROLAN-2-YLOXY)METHYL]BENZAMIDINE
DrugBank: DB04109
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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