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BioLiP Library

PDB CCD ID: 8CV
Number of entries in BioLiP: 1
Chemical formula: C10 H15 N5
InChI: InChI=1S/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15)
InChIKey: ICFJFFQQTFMIBG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6[H]/N=C(/N)\N/C(=N/[H])/NCCc1ccccc1
ACDLabs 12.01c1(CCN\C(=N)N/C(N)=N)ccccc1
OpenEye OEToolkits 2.0.6c1ccc(cc1)CCNC(=N)NC(=N)N
CACTVS 3.385NC(=N)NC(=N)NCCc1ccccc1
Name:N-(2-phenylethyl)imidodicarbonimidic diamide
ChEMBL: CHEMBL170988
DrugBank: DB00914
ZINC: ZINC000005851063
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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