BioLiP

PDB

BioLiP

PDB CCD ID:

A1L3D

Number of entries in BioLiP:

Chemical formula:

C19 H23 F2 N3 O2

InChI:

InChI=1S/C19H23F2N3O2/c1-4-8-13(9-5-2)18(25)22-17-14-10-7-11-15(26-19(20)21)16(14)24(23-17)12-6-3/h3,7,10-11,13,19H,4-5,8-9,12H2,1-2H3,(H,22,23,25)

InChIKey:

LDQBXERCNCIKDE-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCC(CCC)C(=O)Nc1nn(CC#C)c2c(OC(F)F)cccc12
OpenEye OEToolkits 2.0.7	CCCC(CCC)C(=O)Nc1c2cccc(c2n(n1)CC#C)OC(F)F

Name:

~{N}-[7-[bis(fluoranyl)methoxy]-1-prop-2-ynyl-indazol-3-yl]-2-propyl-pentanamide

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).