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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: APA
Number of entries in BioLiP: 6
Chemical formula: C10 H12 N2 O3
InChI: InChI=1S/C10H12N2O3/c11-9(12)7-3-1-6(2-4-7)5-8(13)10(14)15/h1-4,8,13H,5H2,(H3,11,12)(H,14,15)/t8-/m0/s1
InChIKey: FAFAPKBWTCDDJC-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0[H]/N=C(/c1ccc(cc1)C[C@@H](C(=O)O)O)\N
CACTVS 3.370NC(=N)c1ccc(C[C@H](O)C(O)=O)cc1
CACTVS 3.370NC(=N)c1ccc(C[CH](O)C(O)=O)cc1
ACDLabs 12.01O=C(O)C(O)Cc1ccc(cc1)C(=[N@H])N
OpenEye OEToolkits 1.7.0c1cc(ccc1CC(C(=O)O)O)C(=N)N
Name:(2S)-3-(4-carbamimidoylphenyl)-2-hydroxypropanoic acid
ZINC: ZINC000015277701

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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