BioLiP

PDB

BioLiP

PDB CCD ID:

L1T

Number of entries in BioLiP:

Chemical formula:

C12 H12 N2 S

InChI:

InChI=1S/C12H12N2S/c1-8-7-10(12(13)14)15-11(8)9-5-3-2-4-6-9/h2-7H,1H3,(H3,13,14)

InChIKey:

ZXOKKHBVRCNRTH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cc(sc1c2ccccc2)C(=N)N
CACTVS 3.385	Cc1cc(sc1c2ccccc2)C(N)=N
OpenEye OEToolkits 2.0.7	[H]/N=C(\c1cc(c(s1)c2ccccc2)C)/N

Name:

4-methyl-5-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).