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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: 1HB
Number of entries in BioLiP: 0
Chemical formula: C7 H16 N2 O2
InChI: InChI=1S/C7H16N2O2/c1-9(2)7(11)4-3-6(8)5-10/h6,10H,3-5,8H2,1-2H3/t6-/m0/s1
InChIKey: MLUJTSZAHCOXIF-LURJTMIESA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CN(C)C(=O)CC[C@H](N)CO
OpenEye OEToolkits 1.7.6CN(C)C(=O)CC[C@@H](CO)N
CACTVS 3.370CN(C)C(=O)CC[CH](N)CO
ACDLabs 12.01O=C(N(C)C)CCC(N)CO
OpenEye OEToolkits 1.7.6CN(C)C(=O)CCC(CO)N
Name:(4S)-4-amino-5-hydroxy-N,N-dimethylpentanamide;
N,N-dimethyl-L-glutamine aldehyde, bound form
ZINC: ZINC000039147585

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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