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BioLiP

PDB CCD ID: 6NK
Number of entries in BioLiP: 1
Chemical formula: C14 H19 N5 O2
InChI: InChI=1S/C14H19N5O2/c15-13(20)10-1-2-11-12(9-10)18-14(17-11)16-3-4-19-5-7-21-8-6-19/h1-2,9H,3-8H2,(H2,15,20)(H2,16,17,18)
InChIKey: YAZZCCWYYDHQPD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=O)c1ccc2nc(NCCN3CCOCC3)[nH]c2c1
ACDLabs 12.01c3(C(=O)N)ccc1c(nc(n1)NCCN2CCOCC2)c3
OpenEye OEToolkits 2.0.4c1cc2c(cc1C(=O)N)[nH]c(n2)NCCN3CCOCC3
Name:2-{[2-(morpholin-4-yl)ethyl]amino}-1H-benzimidazole-6-carboxamide
ChEMBL: CHEMBL4635368
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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