BioLiP

PDB

BioLiP

PDB CCD ID:

9EB

Number of entries in BioLiP:

Chemical formula:

C15 H15 Cl N2 O4 S

InChI:

InChI=1S/C15H15ClN2O4S/c1-9(11-4-2-3-5-13(11)19)18-15(20)10-6-7-12(16)14(8-10)23(17,21)22/h2-9,19H,1H3,(H,18,20)(H2,17,21,22)/t9-/m1/s1

InChIKey:

YTZRBQIEUYQFPK-SECBINFHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CC(c1ccccc1O)NC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl
OpenEye OEToolkits 2.0.6	C[C@H](c1ccccc1O)NC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl
CACTVS 3.385	C[C@@H](NC(=O)c1ccc(Cl)c(c1)[S](N)(=O)=O)c2ccccc2O
CACTVS 3.385	C[CH](NC(=O)c1ccc(Cl)c(c1)[S](N)(=O)=O)c2ccccc2O

Name:

4-chloranyl-~{N}-[(1~{R})-1-(2-hydroxyphenyl)ethyl]-3-sulfamoyl-benzamide

ZINC:

ZINC000000638494

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).