BioLiP

PDB

BioLiP

PDB CCD ID:

RV1

Number of entries in BioLiP:

Chemical formula:

C10 H12 N2 O3 S

InChI:

InChI=1S/C10H12N2O3S/c11-8-3-5-9(6-4-8)16(14,15)12-10(13)7-1-2-7/h3-7H,1-2,11H2,(H,12,13)

InChIKey:

KTKSMAGLIAHVSM-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=S(=O)(NC(=O)C1CC1)c2ccc(N)cc2
OpenEye OEToolkits 1.7.6	c1cc(ccc1N)S(=O)(=O)NC(=O)C2CC2
CACTVS 3.385	Nc1ccc(cc1)[S](=O)(=O)NC(=O)C2CC2

Name:

N-[(4-aminophenyl)sulfonyl]cyclopropanecarboxamide

ChEMBL:

CHEMBL3414693

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).