BioLiP

PDB

BioLiP

PDB CCD ID:

1EZ

Number of entries in BioLiP:

Chemical formula:

C18 H24 N2 O3 S

InChI:

InChI=1S/C18H24N2O3S/c19-24(22,23)16-3-1-15(2-4-16)20-17(21)11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,20,21)(H2,19,22,23)/t12-,13+,14-,18-

InChIKey:

IOBDJZDMMNHNAM-WXZYKRPKSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=S(=O)(N)c1ccc(cc1)NC(=O)CC24CC3CC(CC(C2)C3)C4
CACTVS 3.370	N[S](=O)(=O)c1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1
OpenEye OEToolkits 1.7.6	c1cc(ccc1NC(=O)CC23CC4CC(C2)CC(C4)C3)S(=O)(=O)N

Name:

N-(4-sulfamoylphenyl)-2-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide

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).