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BioLiP Library

PDB CCD ID: D1L
Number of entries in BioLiP: 4
Chemical formula: C15 H12 Cl2 O4
InChI: InChI=1S/C15H12Cl2O4/c1-9(15(18)19)20-11-3-5-12(6-4-11)21-14-7-2-10(16)8-13(14)17/h2-9H,1H3,(H,18,19)/t9-/m1/s1
InChIKey: OOLBCHYXZDXLDS-SECBINFHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@H](C(=O)O)Oc1ccc(cc1)Oc2ccc(cc2Cl)Cl
CACTVS 3.341C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)C(O)=O
OpenEye OEToolkits 1.5.0CC(C(=O)O)Oc1ccc(cc1)Oc2ccc(cc2Cl)Cl
CACTVS 3.341C[CH](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)C(O)=O
ACDLabs 10.04Clc2cc(Cl)ccc2Oc1ccc(OC(C(=O)O)C)cc1
Name:2-[4-(2,4-DICHLOROPHENOXY)PHENOXY]PROPANOIC ACID
DrugBank: DB03781
ZINC: ZINC000005211621
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)(download the PDF file).
  • 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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