SEQ2FUN

BioLiP

PDB CCD ID: MEX
Number of entries in BioLiP: 1
Chemical formula: C13 H10 N2 O3
InChI: InChI=1S/C13H10N2O3/c16-8-5-6-11(12(17)7-8)15-10-4-2-1-3-9(10)14-13(15)18/h1-7,16-17H,(H,14,18)
InChIKey: VCZFDVVMKKLXAN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc2c(c1)NC(=O)N2c3ccc(cc3O)O
CACTVS 3.370Oc1ccc(N2C(=O)Nc3ccccc23)c(O)c1
ACDLabs 12.01O=C2Nc1ccccc1N2c3ccc(O)cc3O
Name:1-(2,4-dihydroxyphenyl)-1,3-dihydro-2H-benzimidazol-2-one
ChEMBL: CHEMBL1802335
ZINC: ZINC000072107392
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).