SEQ2FUN

BioLiP

PDB CCD ID: WKI
Number of entries in BioLiP: 1
Chemical formula: C20 H15 Cl O3
InChI: InChI=1S/C20H15ClO3/c21-16-9-10-18(15-6-4-5-14(11-15)12-20(22)23)19(13-16)24-17-7-2-1-3-8-17/h1-11,13H,12H2,(H,22,23)
InChIKey: LVZMPQWPNLPPJY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)Oc2cc(ccc2c3cccc(c3)CC(=O)O)Cl
ACDLabs 12.01Clc1cc(Oc2ccccc2)c(cc1)c1cc(CC(=O)O)ccc1
CACTVS 3.385OC(=O)Cc1cccc(c1)c2ccc(Cl)cc2Oc3ccccc3
Name:[(1M)-4'-chloro-2'-phenoxy[1,1'-biphenyl]-3-yl]acetic acid
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).