SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C14 H24 N2 O5

InChI:

InChI=1S/C14H24N2O5/c1-2-5-19-7-9-21-10-8-20-6-3-4-16-12-11(15)13(17)14(12)18/h16H,2-10,15H2,1H3

InChIKey:

ZUVPNXOKAPTNLU-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CCCOCCOCCOCCCNC1=C(N)C(=O)C1=O
OpenEye OEToolkits 1.5.0	CCCOCCOCCOCCCNC1=C(C(=O)C1=O)N
ACDLabs 10.04	O=C1C(N)=C(NCCCOCCOCCOCCC)C1=O

Name:

3-AMINO-4-{3-[2-(2-PROPOXY-ETHOXY)-ETHOXY]-PROPYLAMINO}-CYCLOBUT-3-ENE-1,2-DIONE

DrugBank:

ZINC:

ZINC000100032834

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).