BioLiP

PDB

BioLiP

PDB CCD ID:

88S

Number of entries in BioLiP:

Chemical formula:

C12 H14 N4 O2 S

InChI:

InChI=1S/C12H14N4O2S/c1-7-15-9-3-2-8(6-10(9)19-7)16-11(17)4-5-14-12(13)18/h2-3,6H,4-5H2,1H3,(H,16,17)(H3,13,14,18)

InChIKey:

OVXHZNUBLPBIEB-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)N
ACDLabs 12.01	O=C(N)NCCC(=O)Nc1ccc2nc(sc2c1)C
CACTVS 3.385	Cc1sc2cc(NC(=O)CCNC(N)=O)ccc2n1

Name:

N-(2-METHYL-1,3-BENZOTHIAZOL-6-YL)-3-UREIDO-PROPANAMIDE

ChEMBL:

CHEMBL2059004

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).