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BioLiP

PDB CCD ID: 34C
Number of entries in BioLiP: 2
Chemical formula: C11 H13 Cl O3
InChI: InChI=1S/C11H13ClO3/c1-2-5-15-10-4-3-8(6-9(10)12)7-11(13)14/h3-4,6H,2,5,7H2,1H3,(H,13,14)
InChIKey: QEJHPAGTOOIBFT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCOc1ccc(cc1Cl)CC(=O)O
CACTVS 3.341CCCOc1ccc(CC(O)=O)cc1Cl
ACDLabs 10.04Clc1cc(ccc1OCCC)CC(=O)O
Name:(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID
DrugBank: DB02773
ZINC: ZINC000003871464
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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