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BioLiP Library

PDB CCD ID: AWP
Number of entries in BioLiP: 4
Chemical formula: C14 H21 N3 O
InChI: InChI=1S/C14H21N3O/c18-14(17-13-4-2-1-3-5-13)16-11-8-12-6-9-15-10-7-12/h6-7,9-10,13H,1-5,8,11H2,(H2,16,17,18)
InChIKey: XUPGANVQJLTRNJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cnccc1CCNC(=O)NC2CCCCC2
CACTVS 3.385O=C(NCCc1ccncc1)NC2CCCCC2
Name:1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea
ZINC: ZINC000000104417
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)(download the PDF file).
  • 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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