BioLiP

PDB

BioLiP

PDB CCD ID:

46P

Number of entries in BioLiP:

Chemical formula:

C8 H10 N4 S

InChI:

InChI=1S/C8H10N4S/c1-5-6(13-8(9)11-5)7-10-3-4-12(7)2/h3-4H,1-2H3,(H2,9,11)

InChIKey:

MHYCRLDCEBMUQM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cn1ccnc1c2sc(N)nc2C
OpenEye OEToolkits 1.9.2	Cc1c(sc(n1)N)c2nccn2C
ACDLabs 12.01	n1c(c(sc1N)c2nccn2C)C

Name:

4-methyl-5-(1-methyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine

ZINC:

ZINC000008708128

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).