BioLiP

PDB

BioLiP

PDB CCD ID:

709

Number of entries in BioLiP:

Chemical formula:

C19 H17 N3 O2

InChI:

InChI=1S/C19H17N3O2/c1-11-14(5-3-7-17(11)23)19(24)22-16-6-2-4-12-8-9-13(18(20)21)10-15(12)16/h2-10,23H,1H3,(H3,20,21)(H,22,24)

InChIKey:

NNGZRCYXFBHMRM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	Cc1c(O)cccc1C(=O)Nc2cccc3ccc(cc23)C(N)=N
ACDLabs 10.04	O=C(c1cccc(O)c1C)Nc3c2cc(C(=[N@H])N)ccc2ccc3
OpenEye OEToolkits 1.5.0	[H]N=C(c1ccc2cccc(c2c1)NC(=O)c3cccc(c3C)O)N
OpenEye OEToolkits 1.5.0	[H]/N=C(\c1ccc2cccc(c2c1)NC(=O)c3cccc(c3C)O)/N

Name:

N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-YL)-3-HYDROXY-2-METHYL-BENZAMIDE;
N-{7-[AMINO(IMINO)METHYL]-1-NAPHTHYL}-3-HYDROXY-2-METHYLBENZAMIDE

DrugBank:

DB07212

ZINC:

ZINC000038189525

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).