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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: 0UZ
Number of entries in BioLiP: 0
Chemical formula: C8 H8 Cl N O3
InChI: InChI=1S/C8H8ClNO3/c9-5-3-4(1-2-6(5)11)7(10)8(12)13/h1-3,7,11H,10H2,(H,12,13)/t7-/m1/s1
InChIKey: FLZDFFKRJPLFGS-SSDOTTSWSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Clc1cc(ccc1O)C(C(=O)O)N
OpenEye OEToolkits 1.7.6c1cc(c(cc1C(C(=O)O)N)Cl)O
OpenEye OEToolkits 1.7.6c1cc(c(cc1[C@H](C(=O)O)N)Cl)O
CACTVS 3.370N[CH](C(O)=O)c1ccc(O)c(Cl)c1
CACTVS 3.370N[C@@H](C(O)=O)c1ccc(O)c(Cl)c1
Name:(2R)-amino(3-chloro-4-hydroxyphenyl)ethanoic acid
ZINC: ZINC000008377559

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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