BioLiP

PDB

BioLiP

PDB CCD ID:

6N1

Number of entries in BioLiP:

Chemical formula:

C14 H20 N6 O2

InChI:

InChI=1S/C14H20N6O2/c15-19-13(21)10-1-2-11-12(9-10)18-14(17-11)16-3-4-20-5-7-22-8-6-20/h1-2,9H,3-8,15H2,(H,19,21)(H2,16,17,18)

InChIKey:

IGHUHXQGMJQAFS-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c3(C(=O)NN)ccc1c(nc(n1)NCCN2CCOCC2)c3
OpenEye OEToolkits 2.0.4	c1cc2c(cc1C(=O)NN)[nH]c(n2)NCCN3CCOCC3
CACTVS 3.385	NNC(=O)c1ccc2nc(NCCN3CCOCC3)[nH]c2c1

Name:

2-{[2-(morpholin-4-yl)ethyl]amino}-1H-benzimidazole-6-carbohydrazide

ChEMBL:

CHEMBL4642133

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).