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BioLiP

PDB CCD ID: XUJ
Number of entries in BioLiP: 1
Chemical formula: C4 H10 B N O4
InChI: InChI=1S/C4H10BNO4/c6-3(4(7)8)1-2-5(9)10/h3,9-10H,1-2,6H2,(H,7,8)/t3-/m1/s1
InChIKey: KSYFGBKMRXVJSG-GSVOUGTGSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01B(O)(CCC(C(O)=O)N)O
OpenEye OEToolkits 2.0.7B(CCC(C(=O)O)N)(O)O
CACTVS 3.385N[CH](CCB(O)O)C(O)=O
CACTVS 3.385N[C@H](CCB(O)O)C(O)=O
OpenEye OEToolkits 2.0.7B(CC[C@H](C(=O)O)N)(O)O
Name:(2R)-2-amino-4-boronobutanoic acid
ChEMBL: CHEMBL5222977
ZINC: ZINC000170021860
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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