BioLiP

PDB

BioLiP

PDB CCD ID:

Z3H

Number of entries in BioLiP:

Chemical formula:

C10 H13 N O3 S

InChI:

InChI=1S/C10H13NO3S/c1-15(12,13)11-9-6-7-14-10-5-3-2-4-8(9)10/h2-5,9,11H,6-7H2,1H3/t9-/m1/s1

InChIKey:

GLQMCOZZWSNYPN-SECBINFHSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	CS(=O)(=O)NC1CCOc2ccccc21
CACTVS 3.385	C[S](=O)(=O)N[CH]1CCOc2ccccc12
CACTVS 3.385	C[S](=O)(=O)N[C@@H]1CCOc2ccccc12
OpenEye OEToolkits 2.0.7	CS(=O)(=O)N[C@@H]1CCOc2c1cccc2
OpenEye OEToolkits 2.0.7	CS(=O)(=O)NC1CCOc2c1cccc2

Name:

N-[(4R)-3,4-dihydro-2H-1-benzopyran-4-yl]methanesulfonamide

ZINC:

ZINC000048903494

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).