SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C10 H10 N2 O5 S

InChI:

InChI=1S/C10H10N2O5S/c13-7(10(16)17)12-8-6(9(14)15)4-1-2-11-3-5(4)18-8/h11H,1-3H2,(H,12,13)(H,14,15)(H,16,17)

InChIKey:

ZIBMATWHOAGNTR-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCNC2
OpenEye OEToolkits 1.5.0	C1CNCc2c1c(c(s2)NC(=O)C(=O)O)C(=O)O
CACTVS 3.341	OC(=O)C(=O)Nc1sc2CNCCc2c1C(O)=O

Name:

2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID

ChEMBL:

DrugBank:

ZINC:

ZINC000001551920

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).