BioLiP

PDB

BioLiP

PDB CCD ID:

K6T

Number of entries in BioLiP:

Chemical formula:

C17 H16 N4 S

InChI:

InChI=1S/C17H16N4S/c18-12-7-4-8-13(9-12)21-17-14(10-15(22-17)16(19)20)11-5-2-1-3-6-11/h1-10,21H,18H2,(H3,19,20)

InChIKey:

LZGYXCFYIGRPJS-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2cc(sc2Nc3cccc(c3)N)C(=N)N
OpenEye OEToolkits 2.0.7	[H]/N=C(\c1cc(c(s1)Nc2cccc(c2)N)c3ccccc3)/N
CACTVS 3.385	NC(=N)c1sc(Nc2cccc(N)c2)c(c1)c3ccccc3

Name:

5-[(3-aminophenyl)amino]-4-phenyl-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).