BioLiP

PDB

BioLiP

PDB CCD ID:

7GY

Number of entries in BioLiP:

Chemical formula:

C16 H15 N3 O2

InChI:

InChI=1S/C16H15N3O2/c1-2-9-7-11(20)4-6-12(9)10-3-5-13-14(8-10)18-19-15(13)16(17)21/h3-8,20H,2H2,1H3,(H2,17,21)(H,18,19)

InChIKey:

MSKMVINDTCVTEK-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c1c(c(ccc1O)c2ccc3c(c2)nnc3C(=O)N)CC
OpenEye OEToolkits 2.0.6	CCc1cc(ccc1c2ccc3c(c2)[nH]nc3C(=O)N)O
CACTVS 3.385	CCc1cc(O)ccc1c2ccc3c([nH]nc3C(N)=O)c2

Name:

6-(2-ethyl-4-hydroxyphenyl)-1H-indazole-3-carboxamide

ChEMBL:

CHEMBL4096219

ZINC:

ZINC000584905407

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).