BioLiP

PDB

BioLiP

PDB CCD ID:

V51

Number of entries in BioLiP:

Chemical formula:

C16 H18 F4 N2 O2 S

InChI:

InChI=1S/C16H18F4N2O2S/c17-10-12(19)15(25(21,23)24)13(20)11(18)14(10)22-16-4-7-1-8(5-16)3-9(2-7)6-16/h7-9,22H,1-6H2,(H2,21,23,24)/t7-,8+,9-,16-

InChIKey:

JWHCFABOVLDALW-IGOHWLOGSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.5	C1C2CC3CC1CC(C2)(C3)Nc4c(c(c(c(c4F)F)S(=O)(=O)N)F)F
CACTVS 3.385	N[S](=O)(=O)c1c(F)c(F)c(NC23CC4CC(CC(C4)C2)C3)c(F)c1F

Name:

4-(1-adamantylamino)-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide

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).