BioLiP

PDB

BioLiP

PDB CCD ID:

2HK

Number of entries in BioLiP:

Chemical formula:

C30 H31 N3 O3

InChI:

InChI=1S/C30H31N3O3/c1-35-27-18-23-17-26-29(22-7-5-20(6-8-22)21-9-11-24(34)12-10-21)31-32-30(26)25(23)19-28(27)36-16-15-33-13-3-2-4-14-33/h5-12,17-19,31-32,34H,2-4,13-16H2,1H3

InChIKey:

DLRNUSDYANLOLU-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Oc1ccc(cc1)c6ccc(C5=C4C(=C3C(C=C(OC)C(OCCN2CCCCC2)=C3)=C4)NN5)cc6
CACTVS 3.370	COc1cc2cc3c([nH][nH]c3c2cc1OCCN4CCCCC4)c5ccc(cc5)c6ccc(O)cc6
OpenEye OEToolkits 1.7.6	COc1cc2cc-3c([nH][nH]c3c2cc1OCCN4CCCCC4)c5ccc(cc5)c6ccc(cc6)O

Name:

4'-{6-methoxy-7-[2-(piperidin-1-yl)ethoxy]-1,2-dihydroindeno[1,2-c]pyrazol-3-yl}biphenyl-4-ol

ZINC:

ZINC000095921316

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).