BioLiP

PDB

BioLiP

PDB CCD ID:

Q8M

Number of entries in BioLiP:

Chemical formula:

C14 H15 Br Cl N3 O3 S

InChI:

InChI=1S/C14H15BrClN3O3S/c15-9-5-11(16)14(20)12(6-9)23(21,22)18-13-7-19(8-17-13)10-3-1-2-4-10/h5-8,10,18,20H,1-4H2

InChIKey:

RWBIWQQGKHMDCL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c(cc(c(c1S(=O)(=O)Nc2cn(cn2)C3CCCC3)O)Cl)Br
CACTVS 3.385	Oc1c(Cl)cc(Br)cc1[S](=O)(=O)Nc2cn(cn2)C3CCCC3
ACDLabs 12.01	C1CC(CC1)n3cc(NS(c2cc(cc(c2O)Cl)Br)(=O)=O)nc3

Name:

5-bromo-3-chloro-N-(1-cyclopentyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide

ChEMBL:

CHEMBL4633372

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).