SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C11 H15 N3 O2 S

InChI:

InChI=1S/C11H15N3O2S/c1-7(2)16-6-5-14-8-3-4-12-9(8)10(15)13-11(14)17/h3-4,7,12H,5-6H2,1-2H3,(H,13,15,17)

InChIKey:

FVJCUZCRPIMVLB-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	C1(=O)NC(N(CCOC(C)C)c2ccnc12)=S
OpenEye OEToolkits 2.0.7	CC(C)OCCN1c2cc[nH]c2C(=O)NC1=S
CACTVS 3.385	CC(C)OCCN1C(=S)NC(=O)c2[nH]ccc12

Name:

1-{2-[(propan-2-yl)oxy]ethyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one

ChEMBL:

DrugBank:

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).