BioLiP

PDB

BioLiP

PDB CCD ID:

EYP

Number of entries in BioLiP:

Chemical formula:

C14 H12 N2 O4 S2

InChI:

InChI=1S/C14H12N2O4S2/c17-13(18)3-1-11-15-7-5-8-10(6-9(7)21-11)22-12(16-8)2-4-14(19)20/h5-6H,1-4H2,(H,17,18)(H,19,20)

InChIKey:

RNLHVOCFLIRTNO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)CCc1sc2cc3sc(CCC(O)=O)nc3cc2n1
ACDLabs 12.01	OC(CCc3sc2c(cc1c(sc(CCC(O)=O)n1)c2)n3)=O
OpenEye OEToolkits 2.0.6	c1c2c(cc3c1nc(s3)CCC(=O)O)sc(n2)CCC(=O)O

Name:

3,3'-(benzo[1,2-d:5,4-d']bis[1,3]thiazole-2,6-diyl)dipropanoic acid

ChEMBL:

CHEMBL4215676

ZINC:

ZINC000002361477

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).