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BioLiP

PDB CCD ID: WUY
Number of entries in BioLiP: 1
Chemical formula: C9 H13 N3 O
InChI: InChI=1S/C9H13N3O/c10-6-7-11-9(13)12-8-4-2-1-3-5-8/h1-5H,6-7,10H2,(H2,11,12,13)
InChIKey: YZKMURMKJCXVIE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1ccc(NC(NCCN)=O)cc1
OpenEye OEToolkits 2.0.7c1ccc(cc1)NC(=O)NCCN
CACTVS 3.385NCCNC(=O)Nc1ccccc1
Name:N-(2-aminoethyl)-N'-phenylurea
ZINC: ZINC000035287544
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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