BioLiP

PDB

BioLiP

PDB CCD ID:

LZ3

Number of entries in BioLiP:

Chemical formula:

C14 H12 N4 O3 S

InChI:

InChI=1S/C14H12N4O3S/c15-22(20,21)10-7-5-9(6-8-10)16-14(19)13-11-3-1-2-4-12(11)17-18-13/h1-8H,(H,16,19)(H,17,18)(H2,15,20,21)

InChIKey:

MNHPHKFLWAPNOV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	N[S](=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccccc23)cc1
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)c(n[nH]2)C(=O)Nc3ccc(cc3)S(=O)(=O)N
ACDLabs 10.04	O=S(=O)(N)c1ccc(cc1)NC(=O)c3nnc2ccccc23

Name:

N-(4-sulfamoylphenyl)-1H-indazole-3-carboxamide

ChEMBL:

CHEMBL455946

DrugBank:

DB08133

ZINC:

ZINC000015270554

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).