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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

BioLiP

PDB CCD ID: 0AY
Number of entries in BioLiP: 0
Chemical formula: C9 H23 B N2 O2
InChI: InChI=1S/C9H23BN2O2/c1-3-13-10(14-4-2)9(12)7-5-6-8-11/h9H,3-8,11-12H2,1-2H3/t9-/m0/s1
InChIKey: FYUGRVWDCBMIQX-VIFPVBQESA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CCOB(OCC)[CH](N)CCCCN
CACTVS 3.370CCOB(OCC)[C@@H](N)CCCCN
ACDLabs 12.01O(B(OCC)C(N)CCCCN)CC
OpenEye OEToolkits 1.7.0B(C(CCCCN)N)(OCC)OCC
OpenEye OEToolkits 1.7.0B([C@H](CCCCN)N)(OCC)OCC
Name:diethyl [(1R)-1,5-diaminopentyl]boronate
DrugBank: DB06840
ZINC: ZINC000169748490

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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