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BioLiP

PDB CCD ID: 7HH
Number of entries in BioLiP: 2
Chemical formula: C23 H19 Cl N2 O5
InChI: InChI=1S/C23H19ClN2O5/c24-18-9-6-15(7-10-18)14-31-20-11-8-17(22(29)25-13-21(27)28)12-19(20)26-23(30)16-4-2-1-3-5-16/h1-12H,13-14H2,(H,25,29)(H,26,30)(H,27,28)
InChIKey: OZHVJQLMONFGDW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)CNC(=O)c1ccc(OCc2ccc(Cl)cc2)c(NC(=O)c3ccccc3)c1
ACDLabs 12.01N(CC(O)=O)C(c1ccc(c(c1)NC(=O)c2ccccc2)OCc3ccc(cc3)Cl)=O
OpenEye OEToolkits 2.0.6c1ccc(cc1)C(=O)Nc2cc(ccc2OCc3ccc(cc3)Cl)C(=O)NCC(=O)O
Name:N-{3-[(benzenecarbonyl)amino]-4-[(4-chlorophenyl)methoxy]benzene-1-carbonyl}glycine
ChEMBL: CHEMBL3983325
ZINC: ZINC000584905425
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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