BioLiP

PDB

BioLiP

PDB CCD ID:

ET8

Number of entries in BioLiP:

Chemical formula:

C18 H13 N3

InChI:

InChI=1S/C18H13N3/c1-2-4-14(5-3-1)18-16-12-15(6-7-17(16)20-21-18)13-8-10-19-11-9-13/h1-12H,(H,20,21)

InChIKey:

JSIJZTBLHULTDZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c4cc(c2cc1c(nnc1cc2)c3ccccc3)ccn4
OpenEye OEToolkits 2.0.6	c1ccc(cc1)c2c3cc(ccc3[nH]n2)c4ccncc4
CACTVS 3.385	[nH]1nc(c2ccccc2)c3cc(ccc13)c4ccncc4

Name:

3-phenyl-5-(pyridin-4-yl)-1H-indazole

ChEMBL:

CHEMBL4101302

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).