BioLiP

PDB

BioLiP

PDB CCD ID:

HK1

Number of entries in BioLiP:

Chemical formula:

C18 H16 N2 O3

InChI:

InChI=1S/C18H16N2O3/c1-22-15-8-11-7-14-17(10-3-5-12(21)6-4-10)19-20-18(14)13(11)9-16(15)23-2/h3-6,8-9,21H,7H2,1-2H3,(H,19,20)

InChIKey:

YXCSLEHSWRLDHG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	COc1cc2c(cc1OC)-c3c(c([nH]n3)c4ccc(cc4)O)C2
CACTVS 3.370	COc1cc2Cc3c([nH]nc3c2cc1OC)c4ccc(O)cc4
ACDLabs 12.01	Oc1ccc(cc1)c2c4c(nn2)c3cc(OC)c(OC)cc3C4

Name:

4-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenol

ChEMBL:

CHEMBL401274

ZINC:

ZINC000028954263

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).