BioLiP

PDB

BioLiP

PDB CCD ID:

K6W

Number of entries in BioLiP:

Chemical formula:

C18 H16 N2 S

InChI:

InChI=1S/C18H16N2S/c19-18(20)17-12-15(14-9-5-2-6-10-14)16(21-17)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H3,19,20)

InChIKey:

NINSVBHVKFSPEZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	[H]/N=C(/c1cc(c(s1)Cc2ccccc2)c3ccccc3)\N
CACTVS 3.385	NC(=N)c1sc(Cc2ccccc2)c(c1)c3ccccc3
OpenEye OEToolkits 2.0.7	c1ccc(cc1)Cc2c(cc(s2)C(=N)N)c3ccccc3

Name:

4-phenyl-5-(phenylmethyl)thiophene-2-carboximidamide

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).