BioLiP

PDB

BioLiP

PDB CCD ID:

K92

Number of entries in BioLiP:

Chemical formula:

C16 H17 N5 S

InChI:

InChI=1S/C16H17N5S/c17-6-7-21-10-20-9-13(21)15-12(8-14(22-15)16(18)19)11-4-2-1-3-5-11/h1-5,8-10H,6-7,17H2,(H3,18,19)

InChIKey:

NTJUXVTZPMWWMS-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2cc(sc2c3cncn3CCN)C(=N)N
CACTVS 3.385	NCCn1cncc1c2sc(cc2c3ccccc3)C(N)=N
OpenEye OEToolkits 2.0.7	[H]/N=C(/c1cc(c(s1)c2cncn2CCN)c3ccccc3)\N

Name:

5-[3-(2-azanylethyl)imidazol-4-yl]-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).