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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: 12N
Number of entries in BioLiP: 0
Chemical formula: C8 H15 N O3
InChI: InChI=1S/C8H15NO3/c9-6(7(10)8(11)12)4-5-2-1-3-5/h5-7,10H,1-4,9H2,(H,11,12)/t6-,7+/m0/s1
InChIKey: GKGGRKROASKKFG-NKWVEPMBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1CC(C1)C[C@@H]([C@H](C(=O)O)O)N
ACDLabs 12.01O=C(O)C(O)C(N)CC1CCC1
CACTVS 3.370N[C@@H](CC1CCC1)[C@@H](O)C(O)=O
OpenEye OEToolkits 1.7.6C1CC(C1)CC(C(C(=O)O)O)N
CACTVS 3.370N[CH](CC1CCC1)[CH](O)C(O)=O
Name:(2R,3S)-3-amino-4-cyclobutyl-2-hydroxybutanoic acid
ZINC: ZINC000098207911

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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