BioLiP

PDB

BioLiP

PDB CCD ID:

KLB

Number of entries in BioLiP:

Chemical formula:

C14 H12 N4 S

InChI:

InChI=1S/C14H12N4S/c15-14(16)12-6-10(9-4-2-1-3-5-9)13(19-12)11-7-17-8-18-11/h1-8H,(H3,15,16)(H,17,18)

InChIKey:

FXABOLLAJZFHEL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2cc(sc2c3cnc[nH]3)C(=N)N
OpenEye OEToolkits 2.0.7	[H]/N=C(\c1cc(c(s1)c2cnc[nH]2)c3ccccc3)/N
CACTVS 3.385	NC(=N)c1sc(c2[nH]cnc2)c(c1)c3ccccc3

Name:

5-(1~{H}-imidazol-5-yl)-4-phenyl-thiophene-2-carboximidamide

ChEMBL:

CHEMBL4633331

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).