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BioLiP

PDB CCD ID: O0D
Number of entries in BioLiP: 1
Chemical formula: C14 H11 Cl2 N O4
InChI: InChI=1S/C14H11Cl2NO4/c1-8(14(18)19)20-10-2-4-11(5-3-10)21-13-12(16)6-9(15)7-17-13/h2-8H,1H3,(H,18,19)/t8-/m1/s1
InChIKey: SVGBNTOHFITEDI-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C(=O)O)Oc1ccc(cc1)Oc2c(cc(cn2)Cl)Cl
CACTVS 3.385C[CH](Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(O)=O
OpenEye OEToolkits 2.0.7C[C@H](C(=O)O)Oc1ccc(cc1)Oc2c(cc(cn2)Cl)Cl
CACTVS 3.385C[C@@H](Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(O)=O
ACDLabs 12.01Clc2c(Oc1ccc(cc1)OC(C)C(O)=O)ncc(c2)Cl
Name:(2R)-2-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}propanoic acid
ZINC: ZINC000000139487
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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