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BioLiP Library

PDB CCD ID: B24
Number of entries in BioLiP: 1
Chemical formula: C6 H10 B N
InChI: InChI=1S/C6H10BN/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey: CXNLOBXKEIGPFX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		B1C=CC=CN1CC
CACTVS 3.341CCN1BC=CC=C1
Name:1-ethyl-1,2-dihydro-1,2-azaborinine;
1-ETHYL-2-HYDRO-1,2-AZABORINE
ZINC: ZINC000198032079
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)(download the PDF file).
  • 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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