BioLiP

PDB

BioLiP

PDB CCD ID:

WMS

Number of entries in BioLiP:

Chemical formula:

C10 H10 F N3 S

InChI:

InChI=1S/C10H10FN3S/c1-7-13-5-10(15-7)6-14-9-2-8(11)3-12-4-9/h2-5,14H,6H2,1H3

InChIKey:

SSOIKBIBPGCZFT-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01 OpenEye OEToolkits 2.0.7	Cc1ncc(s1)CNc2cc(cnc2)F
CACTVS 3.385	Cc1sc(CNc2cncc(F)c2)cn1

Name:

5-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine

ZINC:

ZINC000300945598

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).