BioLiP

PDB

BioLiP

PDB CCD ID:

XMW

Number of entries in BioLiP:

Chemical formula:

C16 H10 N4 O2 S2

InChI:

InChI=1S/C16H10N4O2S2/c1-2-4-17-9(3-1)11-7-23-15(19-11)20-16-18-10-5-12-13(22-8-21-12)6-14(10)24-16/h1-7H,8H2,(H,18,19,20)

InChIKey:

SHGZXMJKDIJLNC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccnc(c1)c2csc(n2)Nc3nc4cc5c(cc4s3)OCO5
CACTVS 3.385	C1Oc2cc3sc(Nc4scc(n4)c5ccccn5)nc3cc2O1
ACDLabs 12.01	s1c2cc3OCOc3cc2nc1Nc1nc(cs1)c1ccccn1

Name:

N-[(4M)-4-(pyridin-2-yl)-1,3-thiazol-2-yl]-2H-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine

ChEMBL:

CHEMBL547770

ZINC:

ZINC000004061307

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).