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BioLiP

PDB CCD ID: 1U2
Number of entries in BioLiP: 1
Chemical formula: C18 H16 N4 O
InChI: InChI=1S/C18H16N4O/c19-17(20)14-7-6-13-11-16(9-8-12(13)10-14)22-18(23)21-15-4-2-1-3-5-15/h1-11H,(H3,19,20)(H2,21,22,23)
InChIKey: JSKAQIFORULOPI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6[H]/N=C(/c1ccc2cc(ccc2c1)NC(=O)Nc3ccccc3)\N
CACTVS 3.370NC(=N)c1ccc2cc(NC(=O)Nc3ccccc3)ccc2c1
OpenEye OEToolkits 1.7.6c1ccc(cc1)NC(=O)Nc2ccc3cc(ccc3c2)C(=N)N
ACDLabs 12.01O=C(Nc1ccccc1)Nc3cc2ccc(C(=[N@H])N)cc2cc3
Name:6-[(phenylcarbamoyl)amino]naphthalene-2-carboximidamide
ChEMBL: CHEMBL556663
ZINC: ZINC000043023346
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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