BioLiP

PDB

BioLiP

PDB CCD ID:

N3F

Number of entries in BioLiP:

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:

Software	SMILES
CACTVS 3.370	Nc1ccccc1Nc2ccc(cc2)C(=O)c3ccccc3
OpenEye OEToolkits 1.7.0	c1ccc(cc1)C(=O)c2ccc(cc2)Nc3ccccc3N
ACDLabs 12.01	O=C(c1ccccc1)c2ccc(cc2)Nc3ccccc3N

Name:

{4-[(2-aminophenyl)amino]phenyl}(phenyl)methanone

ChEMBL:

CHEMBL152596

ZINC:

ZINC000000017685

Reference:

Chengxin Zhang, Xi Zhang, Lydia 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).