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BioLiP

PDB CCD ID: N3F
Number of entries in BioLiP: 1
Chemical formula: C19 H16 N2 O
InChI: InChI=1S/C19H16N2O/c20-17-8-4-5-9-18(17)21-16-12-10-15(11-13-16)19(22)14-6-2-1-3-7-14/h1-13,21H,20H2
InChIKey: RAWYMBACZSQNDD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Nc1ccccc1Nc2ccc(cc2)C(=O)c3ccccc3
OpenEye OEToolkits 1.7.0c1ccc(cc1)C(=O)c2ccc(cc2)Nc3ccccc3N
ACDLabs 12.01O=C(c1ccccc1)c2ccc(cc2)Nc3ccccc3N
Name:{4-[(2-aminophenyl)amino]phenyl}(phenyl)methanone
ChEMBL: CHEMBL152596
ZINC: ZINC000000017685
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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