BioLiP

PDB

BioLiP

PDB CCD ID:

4EP

Number of entries in BioLiP:

Chemical formula:

C16 H16 N2 O3

InChI:

InChI=1S/C16H16N2O3/c1-2-5-10-8-13(15(20)9-14(10)19)18-12-7-4-3-6-11(12)17-16(18)21/h3-4,6-9,19-20H,2,5H2,1H3,(H,17,21)

InChIKey:

SOTMROXSYBGQBW-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCc1cc(N2C(=O)Nc3ccccc23)c(O)cc1O
ACDLabs 12.01	O=C2Nc1ccccc1N2c3cc(c(cc3O)O)CCC
OpenEye OEToolkits 1.9.2	CCCc1cc(c(cc1O)O)N2c3ccccc3NC2=O

Name:

1-(2,4-dihydroxy-5-propylphenyl)-1,3-dihydro-2H-benzimidazol-2-one

ZINC:

ZINC000147750560

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).