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BioLiP

PDB CCD ID: NM7
Number of entries in BioLiP: 4
Chemical formula: C12 H10 F N3 O2 S
InChI: InChI=1S/C12H10FN3O2S/c13-7-3-1-6(2-4-7)9-5-8(10(14)17)11(19-9)16-12(15)18/h1-5H,(H2,14,17)(H3,15,16,18)
InChIKey: SAYGKHKXGCPTLX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(Nc1sc(cc1C(=O)N)c2ccc(F)cc2)N
OpenEye OEToolkits 1.7.0c1cc(ccc1c2cc(c(s2)NC(=O)N)C(=O)N)F
CACTVS 3.370NC(=O)Nc1sc(cc1C(N)=O)c2ccc(F)cc2
Name:2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide
ChEMBL: CHEMBL257167
DrugBank: DB17058
ZINC: ZINC000003960707
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)(download the PDF file).
  • 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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