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BioLiP

PDB CCD ID: PF4
Number of entries in BioLiP: 1
Chemical formula: C21 H18 N2 O2 S
InChI: InChI=1S/C21H18N2O2S/c1-24-16-9-5-14(6-10-16)19-20(15-7-11-17(25-2)12-8-15)23-21(22-19)18-4-3-13-26-18/h3-13H,1-2H3,(H,22,23)
InChIKey: XBMULXNXJLWLLD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04n2c(c(c1ccc(OC)cc1)nc2c3sccc3)c4ccc(OC)cc4
CACTVS 3.341COc1ccc(cc1)c2[nH]c(nc2c3ccc(OC)cc3)c4sccc4
OpenEye OEToolkits 1.5.0COc1ccc(cc1)c2c(nc([nH]2)c3cccs3)c4ccc(cc4)OC
Name:4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole
ChEMBL: CHEMBL1235237
DrugBank: DB08383
ZINC: ZINC000000860663
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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