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BioLiP

PDB CCD ID: RU4
Number of entries in BioLiP: 3
Chemical formula: C11 H11 N3 O2 S
InChI: InChI=1S/C11H11N3O2S/c1-2-12-11(15)16-9-5-3-8(4-6-9)10-7-17-14-13-10/h3-7H,2H2,1H3,(H,12,15)
InChIKey: VSHNRASUUBQGMG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CCNC(=O)Oc1ccc(cc1)c2csnn2
ACDLabs 12.01N(C(Oc1ccc(cc1)c2nnsc2)=O)CC
Name:4-(1,2,3-thiadiazol-4-yl)phenyl ethylcarbamate
ChEMBL: CHEMBL1308561
ZINC: ZINC000001387541
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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