BioLiP

PDB

BioLiP

PDB CCD ID:

675

Number of entries in BioLiP:

Chemical formula:

C18 H15 N3 O

InChI:

InChI=1S/C18H15N3O/c19-17(20)14-8-6-13-11-15(9-7-12(13)10-14)18(22)21-16-4-2-1-3-5-16/h1-11H,(H3,19,20)(H,21,22)

InChIKey:

AECPTICWHONWNW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	[H]N=C(c1ccc2cc(ccc2c1)C(=O)Nc3ccccc3)N
ACDLabs 10.04	O=C(Nc1ccccc1)c3cc2ccc(C(=[N@H])N)cc2cc3
OpenEye OEToolkits 1.5.0	[H]/N=C(/c1ccc2cc(ccc2c1)C(=O)Nc3ccccc3)\N
CACTVS 3.341	NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc3ccccc3

Name:

6-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL-2-NAPHTHAMIDE;
6-(N-PHENYLCARBAMYL)-2-NAPHTHALENECARBOXAMIDINE

ChEMBL:

CHEMBL104937

DrugBank:

DB01977

ZINC:

ZINC000002047486

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).