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BioLiP

PDB CCD ID: 1TC
Number of entries in BioLiP: 1
Chemical formula: C25 H26 Cl N3 O5
InChI: InChI=1S/C25H26ClN3O5/c1-16-27-14-22(34-16)24(31)29-18-5-8-20(21(26)13-18)23(30)28-15-25(9-11-33-12-10-25)17-3-6-19(32-2)7-4-17/h3-8,13-14H,9-12,15H2,1-2H3,(H,28,30)(H,29,31)
InChIKey: WOVOBLGUSQNZJX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1ncc(o1)C(=O)Nc2ccc(c(c2)Cl)C(=O)NCC3(CCOCC3)c4ccc(cc4)OC
CACTVS 3.385COc1ccc(cc1)C2(CCOCC2)CNC(=O)c3ccc(NC(=O)c4oc(C)nc4)cc3Cl
Name:N-[3-chloranyl-4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]-2-methyl-1,3-oxazole-5-carboxamide
ChEMBL: CHEMBL3753249
ZINC: ZINC000147929531
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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