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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: YHO
Number of entries in BioLiP: 1
Chemical formula: C5 H11 N O3
InChI: InChI=1S/C5H11NO3/c6-2-1-3(7)5(9)4(2)8/h2-5,7-9H,1,6H2/t2-,3+,4-,5+/m1/s1
InChIKey: UUKWSEIZIMUXPU-LECHCGJUSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341N[C@@H]1C[C@H](O)[C@H](O)[C@@H]1O
CACTVS 3.341N[CH]1C[CH](O)[CH](O)[CH]1O
ACDLabs 10.04OC1CC(N)C(O)C1O
OpenEye OEToolkits 1.5.0C1C(C(C(C1O)O)O)N
OpenEye OEToolkits 1.5.0C1[C@H]([C@H]([C@H]([C@H]1O)O)O)N
Name:(1S,2S,3R,4R)-4-aminocyclopentane-1,2,3-triol
ChEMBL: CHEMBL268037
ZINC: ZINC000026000076

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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