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BioLiP

PDB CCD ID: S9V
Number of entries in BioLiP: 1
Chemical formula: C11 H15 Cl N2 O2
InChI: InChI=1S/C11H15ClN2O2/c1-11(2,7-15)14-10(16)13-9-5-3-8(12)4-6-9/h3-6,15H,7H2,1-2H3,(H2,13,14,16)
InChIKey: DBHMCYWQGLNEQR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(C)(CO)NC(=O)Nc1ccc(cc1)Cl
CACTVS 3.385CC(C)(CO)NC(=O)Nc1ccc(Cl)cc1
Name:1-(4-chlorophenyl)-3-(2-methyl-1-oxidanyl-propan-2-yl)urea
ZINC: ZINC000000395845
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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