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BioLiP

PDB CCD ID: UUL
Number of entries in BioLiP: 13
Chemical formula: C15 H11 Cl N2 O S
InChI: InChI=1S/C15H11ClN2OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,(H,17,18)
InChIKey: ZFGXZJKLOFCECI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Oc1ccc(Nc2scc(n2)c3ccc(Cl)cc3)cc1
ACDLabs 12.01Clc3ccc(c1nc(sc1)Nc2ccc(O)cc2)cc3
OpenEye OEToolkits 1.7.6c1cc(ccc1c2csc(n2)Nc3ccc(cc3)O)Cl
Name:4-{[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino}phenol
ChEMBL: CHEMBL1076555
ZINC: ZINC000000206382
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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