BioLiP

PDB

BioLiP

PDB CCD ID:

U5Z

Number of entries in BioLiP:

Chemical formula:

C7 H8 F N3 S

InChI:

InChI=1S/C7H8FN3S/c8-5-1-3-6(4-2-5)10-11-7(9)12/h1-4,10H,(H3,9,11,12)

InChIKey:

KQNHAXWTVPXGMP-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC(=S)NNc1ccc(F)cc1
OpenEye OEToolkits 2.0.7	c1cc(ccc1NNC(=S)N)F

Name:

1-[(4-fluorophenyl)amino]thiourea

ZINC:

ZINC000000069512

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).