BioLiP

PDB

BioLiP

PDB CCD ID:

YJD

Number of entries in BioLiP:

Chemical formula:

C16 H16 N2 O2

InChI:

InChI=1S/C16H16N2O2/c1-11(2)20-16-17-14-5-3-4-6-15(14)18(16)12-7-9-13(19)10-8-12/h3-11,19H,1-2H3

InChIKey:

IRWOSCQWORJIQP-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	n2c1ccccc1n(c2OC(C)C)c3ccc(O)cc3
CACTVS 3.385	CC(C)Oc1nc2ccccc2n1c3ccc(O)cc3
OpenEye OEToolkits 1.9.2	CC(C)Oc1nc2ccccc2n1c3ccc(cc3)O

Name:

4-(2-PROPAN-2-YLOXYBENZIMIDAZOL-1-YL)PHENOL

ZINC:

ZINC000082165218

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).