BioLiP

PDB

BioLiP

PDB CCD ID:

0JP

Number of entries in BioLiP:

Chemical formula:

C16 H15 N3 O2 S

InChI:

InChI=1S/C16H15N3O2S/c1-20-12-5-10-3-4-19-8-18-15(14-7-17-9-22-14)16(19)11(10)6-13(12)21-2/h5-9H,3-4H2,1-2H3

InChIKey:

GFIAXSKRRKHJBD-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	COc1cc2CCn3cnc(c4scnc4)c3c2cc1OC
ACDLabs 12.01	n1cn4c(c1c2scnc2)c3cc(OC)c(OC)cc3CC4
OpenEye OEToolkits 1.7.6	COc1cc2c(cc1OC)-c3c(ncn3CC2)c4cncs4

Name:

8,9-dimethoxy-1-(1,3-thiazol-5-yl)-5,6-dihydroimidazo[5,1-a]isoquinoline

ChEMBL:

CHEMBL2017087

ZINC:

ZINC000084616669

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).