BioLiP

PDB

BioLiP

PDB CCD ID:

FRK

Number of entries in BioLiP:

Chemical formula:

C21 H22 N2 O3 S

InChI:

InChI=1S/C21H22N2O3S/c1-2-3-4-5-18(26)22-21-23-19(14-6-10-16(24)11-7-14)20(27-21)15-8-12-17(25)13-9-15/h6-13,24-25H,2-5H2,1H3,(H,22,23,26)

InChIKey:

RPLGSGRXKXSQAO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CCCCCC(=O)Nc1nc(c(s1)c2ccc(cc2)O)c3ccc(cc3)O
CACTVS 3.341	CCCCCC(=O)Nc1sc(c2ccc(O)cc2)c(n1)c3ccc(O)cc3
ACDLabs 10.04	O=C(Nc2nc(c1ccc(O)cc1)c(s2)c3ccc(O)cc3)CCCCC

Name:

N-[4,5-BIS(4-HYDROXYPHENYL)-1,3-THIAZOL-2-YL]HEXANAMIDE;
FR104783

ZINC:

ZINC000016051635

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).