BioLiP

PDB

BioLiP

PDB CCD ID:

6WD

Number of entries in BioLiP:

Chemical formula:

C15 H14 F2 N4 S

InChI:

InChI=1S/C15H14F2N4S/c1-15(11-3-2-10(16)4-12(11)17)5-13(22-14(18)21-15)9-6-19-8-20-7-9/h2-4,6-8,13H,5H2,1H3,(H2,18,21)/t13-,15-/m0/s1

InChIKey:

AHFBBIPUKVCJEP-ZFWWWQNUSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.5	C[C@]1(C[C@H](SC(=N1)N)c2cncnc2)c3ccc(cc3F)F
CACTVS 3.385	C[C]1(C[CH](SC(=N1)N)c2cncnc2)c3ccc(F)cc3F
OpenEye OEToolkits 2.0.5	CC1(CC(SC(=N1)N)c2cncnc2)c3ccc(cc3F)F
CACTVS 3.385	C[C@]1(C[C@H](SC(=N1)N)c2cncnc2)c3ccc(F)cc3F

Name:

(4~{S},6~{S})-4-[2,4-bis(fluoranyl)phenyl]-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine

ChEMBL:

CHEMBL4444341

ZINC:

ZINC000221397873

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).