BioLiP

PDB

BioLiP

PDB CCD ID:

135

Number of entries in BioLiP:

Chemical formula:

C14 H13 N3 O2

InChI:

InChI=1S/C14H13N3O2/c15-13(16)9-5-7-10(8-6-9)17-14(19)11-3-1-2-4-12(11)18/h1-8,18H,(H3,15,16)(H,17,19)

InChIKey:

MYHDBRFFPZXDMX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	[H]N=C(c1ccc(cc1)NC(=O)c2ccccc2O)N
OpenEye OEToolkits 1.5.0	[H]/N=C(\c1ccc(cc1)NC(=O)c2ccccc2O)/N
CACTVS 3.341	NC(=N)c1ccc(NC(=O)c2ccccc2O)cc1
ACDLabs 10.04	O=C(c1ccccc1O)Nc2ccc(C(=[N@H])N)cc2

Name:

N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-BENZAMIDE

ChEMBL:

CHEMBL64708

ZINC:

ZINC000003591050

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).