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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: ZYM
Number of entries in BioLiP: 1
Chemical formula: C19 H19 N O5
InChI: InChI=1S/C19H19NO5/c21-17(19(23)24)13-18(22)20-11-5-7-14-6-4-10-16(12-14)25-15-8-2-1-3-9-15/h1-4,6,8-10,12H,5,7,11,13H2,(H,20,22)(H,23,24)
InChIKey: SJGQLSMZNBWNEL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc(cc1)Oc2cccc(c2)CCCNC(=O)CC(=O)C(=O)O
ACDLabs 12.01O=C(O)C(=O)CC(=O)NCCCc2cc(Oc1ccccc1)ccc2
CACTVS 3.370OC(=O)C(=O)CC(=O)NCCCc1cccc(Oc2ccccc2)c1
Name:2,4-dioxo-4-{[3-(3-phenoxyphenyl)propyl]amino}butanoic acid
ZINC: ZINC000084669313

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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