BioLiP

PDB

BioLiP

PDB CCD ID:

JVT

Number of entries in BioLiP:

Chemical formula:

C19 H21 N5 O

InChI:

InChI=1S/C19H21N5O/c1-23-10-12-24(13-11-23)15-8-6-14(7-9-15)20-19(25)18-16-4-2-3-5-17(16)21-22-18/h2-9H,10-13H2,1H3,(H,20,25)(H,21,22)

InChIKey:

NZDNAXLFPOOOJE-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(c2nnc1ccccc12)Nc4ccc(N3CCN(C)CC3)cc4
OpenEye OEToolkits 1.9.2	CN1CCN(CC1)c2ccc(cc2)NC(=O)c3c4ccccc4[nH]n3
CACTVS 3.385	CN1CCN(CC1)c2ccc(NC(=O)c3n[nH]c4ccccc34)cc2

Name:

N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazole-3-carboxamide

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).