BioLiP

PDB

BioLiP

PDB CCD ID:

NKS

Number of entries in BioLiP:

Chemical formula:

C28 H25 Cl N2 O6

InChI:

InChI=1S/C28H25ClN2O6/c1-18-6-12-23(13-7-18)37-28(34)31(16-26(32)33)15-20-4-3-5-24(14-20)35-17-25-19(2)36-27(30-25)21-8-10-22(29)11-9-21/h3-14H,15-17H2,1-2H3,(H,32,33)

InChIKey:

HUZRXZVIBUNCKL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.352	Cc1ccc(OC(=O)N(CC(O)=O)Cc2cccc(OCc3nc(oc3C)c4ccc(Cl)cc4)c2)cc1
ACDLabs 11.02	O=C(Oc1ccc(cc1)C)N(CC(=O)O)Cc4cc(OCc2nc(oc2C)c3ccc(Cl)cc3)ccc4
OpenEye OEToolkits 1.7.0	Cc1ccc(cc1)OC(=O)N(Cc2cccc(c2)OCc3c(oc(n3)c4ccc(cc4)Cl)C)CC(=O)O

Name:

N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-[(4-methylphenoxy)carbonyl]glycine

ChEMBL:

CHEMBL1089210

ZINC:

ZINC000044460340

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).