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BioLiP

PDB CCD ID: EYP
Number of entries in BioLiP: 1
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:
SoftwareSMILES
CACTVS 3.385OC(=O)CCc1sc2cc3sc(CCC(O)=O)nc3cc2n1
ACDLabs 12.01OC(CCc3sc2c(cc1c(sc(CCC(O)=O)n1)c2)n3)=O
OpenEye OEToolkits 2.0.6c1c2c(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, Peter L 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).

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