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BioLiP

PDB CCD ID: 4ND
Number of entries in BioLiP: 1
Chemical formula: C14 H15 N5 O
InChI: InChI=1S/C14H15N5O/c15-13(16)17-18-14(20)19(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,18,20)(H4,15,16,17)
InChIKey: QLXOHIUDKNRVBZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NC(=N)NNC(=O)N(c1ccccc1)c2ccccc2
ACDLabs 10.04O=C(N(c1ccccc1)c2ccccc2)NNC(=[N@H])N
OpenEye OEToolkits 1.5.0c1ccc(cc1)N(c2ccccc2)C(=O)NNC(=N)N
Name:N4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINE
DrugBank: DB07120
ZINC: ZINC000006228838
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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