BioLiP

PDB

BioLiP

PDB CCD ID:

8JM

Number of entries in BioLiP:

Chemical formula:

C20 H18 N4 O

InChI:

InChI=1S/C20H18N4O/c1-2-16-17(13-5-8-18-14(9-13)10-23-24-18)11-22-20(21)19(16)12-3-6-15(25)7-4-12/h3-11,25H,2H2,1H3,(H2,21,22)(H,23,24)

InChIKey:

ZHYXJQQBKROZDX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CCc1c(cnc(c1c2ccc(cc2)O)N)c3ccc4c(c3)cn[nH]4
CACTVS 3.385	CCc1c(cnc(N)c1c2ccc(O)cc2)c3ccc4[nH]ncc4c3
ACDLabs 12.01	c3(ncc(c1cc2c(cc1)nnc2)c(CC)c3c4ccc(cc4)O)N

Name:

4-[2-amino-4-ethyl-5-(1H-indazol-5-yl)pyridin-3-yl]phenol

ChEMBL:

CHEMBL4076247

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).