SEQ2FUN

BioLiP

PDB CCD ID: 8TD
Number of entries in BioLiP: 2
Chemical formula: C9 H11 N3 O
InChI: InChI=1S/C9H11N3O/c1-11-7-4-3-6(10)5-8(7)12(2)9(11)13/h3-5H,10H2,1-2H3
InChIKey: JHKRQZQRGCCWOO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N1(C)C(=O)N(c2cc(N)ccc12)C
CACTVS 3.385CN1C(=O)N(C)c2cc(N)ccc12
OpenEye OEToolkits 2.0.6CN1c2ccc(cc2N(C1=O)C)N
Name:5-amino-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one
ChEMBL: CHEMBL4128196
ZINC: ZINC000000272516
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).