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BioLiP

PDB CCD ID: CFK
Number of entries in BioLiP: 1
Chemical formula: C12 H11 N3 O2 S
InChI: InChI=1S/C12H11N3O2S/c13-11(16)10-8(15-12(14)17)6-9(18-10)7-4-2-1-3-5-7/h1-6H,(H2,13,16)(H3,14,15,17)
InChIKey: HKWYRLYHYBFHLL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc(cc1)c2cc(c(s2)C(=O)N)NC(=O)N
CACTVS 3.370NC(=O)Nc1cc(sc1C(N)=O)c2ccccc2
ACDLabs 12.01O=C(c1sc(cc1NC(=O)N)c2ccccc2)N
Name:3-(carbamoylamino)-5-phenylthiophene-2-carboxamide
ChEMBL: CHEMBL1831214
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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