BioLiP

PDB

BioLiP

PDB CCD ID:

H0K

Number of entries in BioLiP:

Chemical formula:

C23 H18 N2 O2

InChI:

InChI=1S/C23H18N2O2/c26-13-14-1-2-18-12-21-22(24-25-23(21)20(18)11-14)17-5-3-15(4-6-17)16-7-9-19(27)10-8-16/h1-11,26-27H,12-13H2,(H,24,25)

InChIKey:

BERKODPQGRAHDD-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Oc1ccc(cc1)c2ccc(cc2)c3c5c(nn3)c4cc(ccc4C5)CO
OpenEye OEToolkits 1.7.6	c1cc(ccc1c2ccc(cc2)O)c3c4c(n[nH]3)-c5cc(ccc5C4)CO
CACTVS 3.370	OCc1ccc2Cc3c([nH]nc3c2c1)c4ccc(cc4)c5ccc(O)cc5

Name:

4'-[7-(hydroxymethyl)-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]biphenyl-4-ol

ChEMBL:

CHEMBL232804

ZINC:

ZINC000028822276

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).