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BioLiP

PDB CCD ID: S6V
Number of entries in BioLiP: 4
Chemical formula: C13 H17 N3 O2
InChI: InChI=1S/C13H17N3O2/c17-12-7-4-9-16(12)10-8-14-13(18)15-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H2,14,15,18)
InChIKey: OYRHWZOYGOUXNC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)NC(=O)NCCN2CCCC2=O
CACTVS 3.385O=C(NCCN1CCCC1=O)Nc2ccccc2
Name:1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea
ChEMBL: CHEMBL1372697
ZINC: ZINC000000179057
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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