BioLiP

PDB

BioLiP

PDB CCD ID:

0TP

Number of entries in BioLiP:

Chemical formula:

C19 H20 N4 O2 S

InChI:

InChI=1S/C19H20N4O2S/c1-21-19(24)15-11-22-18(20)14-10-16(26-17(14)15)12-2-4-13(5-3-12)23-6-8-25-9-7-23/h2-5,10-11H,6-9H2,1H3,(H2,20,22)(H,21,24)

InChIKey:

JNNQSTULXLHQBB-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	CNC(=O)c1cnc(c2c1sc(c2)c3ccc(cc3)N4CCOCC4)N
ACDLabs 12.01	O=C(c2c1sc(cc1c(nc2)N)c4ccc(N3CCOCC3)cc4)NC
CACTVS 3.370	CNC(=O)c1cnc(N)c2cc(sc12)c3ccc(cc3)N4CCOCC4

Name:

4-amino-N-methyl-2-[4-(morpholin-4-yl)phenyl]thieno[3,2-c]pyridine-7-carboxamide

ChEMBL:

CHEMBL1938643

ZINC:

ZINC000073224652

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).