SEQ2FUN

BioLiP

PDB CCD ID: 245
Number of entries in BioLiP: 6
Chemical formula: C12 H10 Cl N3 O
InChI: InChI=1S/C12H10ClN3O/c13-11-8-10(6-7-14-11)16-12(17)15-9-4-2-1-3-5-9/h1-8H,(H2,14,15,16,17)
InChIKey: GPXLRLUVLMHHIK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)NC(=O)Nc2ccnc(c2)Cl
CACTVS 3.341Clc1cc(NC(=O)Nc2ccccc2)ccn1
ACDLabs 10.04Clc2nccc(NC(=O)Nc1ccccc1)c2
Name:1-(2-chloropyridin-4-yl)-3-phenylurea
ChEMBL: CHEMBL1229826
ZINC: ZINC000000402792
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).