BioLiP

PDB

BioLiP

PDB CCD ID:

8P4

Number of entries in BioLiP:

Chemical formula:

C7 H7 F N2 S

InChI:

InChI=1S/C7H7FN2S/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)

InChIKey:

BRWKXKNZRVALNZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC(=S)Nc1ccc(F)cc1
OpenEye OEToolkits 2.0.6	c1cc(ccc1NC(=S)N)F

Name:

1-(4-fluorophenyl)thiourea

ZINC:

ZINC000000064840

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).