BioLiP

PDB

BioLiP

PDB CCD ID:

C3Z

Number of entries in BioLiP:

Chemical formula:

C23 H18 N4 O

InChI:

InChI=1S/C23H18N4O/c28-23-15-21-18(20(25-26-21)13-16-7-3-1-4-8-16)14-19(23)22-11-12-24-27(22)17-9-5-2-6-10-17/h1-12,14-15,28H,13H2,(H,25,26)

InChIKey:

XBGRZWVCOXMUCW-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1cc2n[nH]c(Cc3ccccc3)c2cc1c4ccnn4c5ccccc5
OpenEye OEToolkits 2.0.6	c1ccc(cc1)Cc2c3cc(c(cc3n[nH]2)O)c4ccnn4c5ccccc5

Name:

3-(phenylmethyl)-5-(2-phenylpyrazol-3-yl)-2~{H}-indazol-6-ol

ChEMBL:

CHEMBL3916268

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).