SEQ2FUN

BioLiP

PDB CCD ID: 2BH
Number of entries in BioLiP: 3
Chemical formula: C6 H13 B N O5
InChI: InChI=1S/C6H13BNO5/c8-5(6(9)10)3-1-2-4-7(11,12)13/h2,4-5,11-13H,1,3,8H2,(H,9,10)/q-1/b4-2+/t5-/m0/s1
InChIKey: CCCYGXMAMSUXAV-FYTLMZHYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0[B-](C=CCCC(C(=O)O)N)(O)(O)O
CACTVS 3.341N[CH](CCC=C[B-](O)(O)O)C(O)=O
OpenEye OEToolkits 1.5.0[B-](\C=C\CC[C@@H](C(=O)O)N)(O)(O)O
CACTVS 3.341N[C@@H](CC\C=C\[B-](O)(O)O)C(O)=O
ACDLabs 10.04O=C(O)C(N)CC/C=C/[B-](O)(O)O
Name:[(1E,5S)-5-AMINO-5-CARBOXYPENT-1-ENYL](TRIHYDROXY)BORATE(1-);
DEHYDRO-2(S)-AMINO-6-BORONOHEXANOIC ACID
DrugBank: DB04585
ZINC: ZINC000169748487
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).