BioLiP

PDB

BioLiP

PDB CCD ID:

8TM

Number of entries in BioLiP:

Chemical formula:

C15 H10 F3 N3 S

InChI:

InChI=1S/C15H10F3N3S/c16-15(17,18)22-11-7-5-10(6-8-11)21-14-12-3-1-2-4-13(12)19-9-20-14/h1-9H,(H,19,20,21)

InChIKey:

PZIHZHOJKADIKG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1ccc2c(c1)c(ncn2)Nc3ccc(cc3)SC(F)(F)F
CACTVS 3.385	FC(F)(F)Sc1ccc(Nc2ncnc3ccccc23)cc1

Name:

N-[4-(TRIFLUOROMETHYLSULFANYL)PHENYL]QUINAZOLIN-4-AMINE

ZINC:

ZINC000230472655

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).