BioLiP

PDB

BioLiP

PDB CCD ID:

V4C

Number of entries in BioLiP:

Chemical formula:

C11 H19 N3 O2 S

InChI:

InChI=1S/C11H19N3O2S/c1-9(2)7-14(10-4-5-10)17(15,16)11-6-12-13(3)8-11/h6,8-10H,4-5,7H2,1-3H3

InChIKey:

SHLCNMOAEZIUIG-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)CN(C1CC1)[S](=O)(=O)c2cnn(C)c2
OpenEye OEToolkits 2.0.7	CC(C)CN(C1CC1)S(=O)(=O)c2cnn(c2)C
ACDLabs 12.01	O=S(=O)(c1cn(C)nc1)N(CC(C)C)C1CC1

Name:

N-cyclopropyl-1-methyl-N-(2-methylpropyl)-1H-pyrazole-4-sulfonamide

ZINC:

ZINC000058931664

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).