BioLiP

PDB

BioLiP

PDB CCD ID:

A1L6Q

Number of entries in BioLiP:

Chemical formula:

C14 H10 Cl N3 S2

InChI:

InChI=1S/C14H10ClN3S2/c15-11-4-2-1-3-10(11)13-8-19-14(20-13)12(7-16)18-6-5-17-9-18/h1-6,9,13H,8H2/b14-12+/t13-/m0/s1

InChIKey:

ZRTQSJFIDWNVJW-REQDGWNSSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Clc1ccccc1[CH]2CSC(S2)=C(C#N)n3ccnc3
CACTVS 3.385	Clc1ccccc1[C@@H]2CSC(/S2)=C(/C#N)n3ccnc3
OpenEye OEToolkits 2.0.7	c1ccc(c(c1)C2CSC(=C(C#N)n3ccnc3)S2)Cl
OpenEye OEToolkits 2.0.7	c1ccc(c(c1)[C@@H]2CS/C(=C(/C#N)\n3ccnc3)/S2)Cl

Name:

(2~{E})-2-[(4~{R})-4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-yl-ethanenitrile;
lanoconazole

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).