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BioLiP

PDB CCD ID: X36
Number of entries in BioLiP: 1
Chemical formula: C16 H13 N3 O S
InChI: InChI=1S/C16H13N3OS/c17-15-14(13(20)11-7-3-1-4-8-11)21-16(19-15)18-12-9-5-2-6-10-12/h1-10H,17H2,(H,18,19)
InChIKey: YOZXSIIEHFGLLO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc(cc1)C(=O)c2c(nc(s2)Nc3ccccc3)N
ACDLabs 12.01O=C(c1sc(nc1N)Nc2ccccc2)c3ccccc3
CACTVS 3.370Nc1nc(Nc2ccccc2)sc1C(=O)c3ccccc3
Name:[4-amino-2-(phenylamino)-1,3-thiazol-5-yl](phenyl)methanone
ChEMBL: CHEMBL561114
ZINC: ZINC000000529873
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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