SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C9 H11 N3 O2 S

InChI:

InChI=1S/C9H11N3O2S/c1-5(13)11-9-12-6-3-2-4-10-8(14)7(6)15-9/h2-4H2,1H3,(H,10,14)(H,11,12,13)

InChIKey:

OYHOEDBNAJPFKK-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C1NCCCc2nc(sc12)NC(=O)C
OpenEye OEToolkits 1.6.1	CC(=O)Nc1nc2c(s1)C(=O)NCCC2
CACTVS 3.352	CC(=O)Nc1sc2C(=O)NCCCc2n1

Name:

N-(4-OXO-5,6,7,8-TETRAHYDRO-4H-[1,3]THIAZOLO[5,4-C]AZEPIN-2-YL)ACETAMIDE

ChEMBL:

DrugBank:

ZINC:

ZINC000008994842

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).