BioLiP

PDB

BioLiP

PDB CCD ID:

K6Z

Number of entries in BioLiP:

Chemical formula:

C17 H15 N3 S

InChI:

InChI=1S/C17H15N3S/c18-16(19)15-11-14(12-7-3-1-4-8-12)17(21-15)20-13-9-5-2-6-10-13/h1-11,20H,(H3,18,19)

InChIKey:

FFGGPXCGNYDJGA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC(=N)c1sc(Nc2ccccc2)c(c1)c3ccccc3
OpenEye OEToolkits 2.0.7	[H]/N=C(\c1cc(c(s1)Nc2ccccc2)c3ccccc3)/N
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2cc(sc2Nc3ccccc3)C(=N)N

Name:

4-phenyl-5-phenylazanyl-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).