SEQ2FUN

BioLiP

PDB CCD ID: M6I
Number of entries in BioLiP: 1
Chemical formula: C12 H10 Cl N3 O
InChI: InChI=1S/C12H10ClN3O/c13-9-3-1-4-10(7-9)15-12(17)16-11-5-2-6-14-8-11/h1-8H,(H2,15,16,17)
InChIKey: QGLBBAUVPATXPV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(cc(c1)Cl)NC(=O)Nc2cccnc2
CACTVS 3.385Clc1cccc(NC(=O)Nc2cccnc2)c1
ACDLabs 12.01O=C(Nc1cccnc1)Nc1cccc(Cl)c1
Name:N-(3-chlorophenyl)-N'-(pyridin-3-yl)urea
ChEMBL: CHEMBL1356063
ZINC: ZINC000000476782
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).