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BioLiP

PDB CCD ID: YDI
Number of entries in BioLiP: 1
Chemical formula: C16 H20 N4 O3 S
InChI: InChI=1S/C16H20N4O3S/c1-20(2)7-8-23-11-5-3-10(4-6-11)13-9-12(14(17)21)15(24-13)19-16(18)22/h3-6,9H,7-8H2,1-2H3,(H2,17,21)(H3,18,19,22)
InChIKey: RFSVVCBVIFWEMZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CN(C)CCOc1ccc(cc1)c2cc(c(s2)NC(=O)N)C(=O)N
ACDLabs 12.01O=C(Nc1sc(cc1C(=O)N)c2ccc(OCCN(C)C)cc2)N
CACTVS 3.370CN(C)CCOc1ccc(cc1)c2sc(NC(N)=O)c(c2)C(N)=O
Name:5-[4-(2-DIMETHYLAMINOETHYLOXY)PHENYL]-2-UREIDO-THIOPHENE-3-CARBOXAMIDE
ChEMBL: CHEMBL452021
ZINC: ZINC000034021557
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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