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BioLiP

PDB CCD ID: A1H0A
Number of entries in BioLiP: 2
Chemical formula: C9 H20 B N2 O5
InChI: InChI=1S/C9H20BN2O5/c11-7-5-9(8(13)14,12-6-7)3-1-2-4-10(15,16)17/h7,12,15-17H,1-6,11H2,(H,13,14)/q-1/t7-,9-/m1/s1
InChIKey: GEKJTUVCDKWVBP-VXNVDRBHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7[B-](CCCCC1(CC(CN1)N)C(=O)O)(O)(O)O
CACTVS 3.385N[C@H]1CN[C@](CCCC[B-](O)(O)O)(C1)C(O)=O
OpenEye OEToolkits 2.0.7[B-](CCCC[C@@]1(C[C@H](CN1)N)C(=O)O)(O)(O)O
CACTVS 3.385N[CH]1CN[C](CCCC[B-](O)(O)O)(C1)C(O)=O
Name:4-[(2~{R},4~{R})-4-azanyl-2-carboxy-pyrrolidin-2-yl]butyl-tris(oxidanyl)boranuide
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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