BioLiP

PDB

BioLiP

PDB CCD ID:

8QO

Number of entries in BioLiP:

Chemical formula:

C11 H14 N2 O2

InChI:

InChI=1S/C11H14N2O2/c1-7-6-12-11(13-7)9-4-3-8(15-2)5-10(9)14/h3-5,7,14H,6H2,1-2H3,(H,12,13)/t7-/m1/s1

InChIKey:

GSHCIAWYWVRHMS-SSDOTTSWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C[C@@H]1CN=C(N1)c2ccc(cc2O)OC
CACTVS 3.385	COc1ccc(c(O)c1)C2=NC[CH](C)N2
CACTVS 3.385	COc1ccc(c(O)c1)C2=NC[C@@H](C)N2
OpenEye OEToolkits 2.0.6	CC1CN=C(N1)c2ccc(cc2O)OC

Name:

5-methoxy-2-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenol

ZINC:

ZINC000005530265

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).