Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	MLS000849730
Molecular formula	C14H10BrClN2O2S3
IUPAC name	N-(4-bromo-2-chlorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
Molecular weight	449.78
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.9
Synonyms	MCULE-6709059808 Oprea1_610998 AW-00430 N-(4-bromanyl-2-chloranyl-phenyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide D0W9ZV N-(4-bromo-2-chlorophenyl)-5-(2-methyl-4-thiazolyl)-2-thiophenesulfonamide AC1MDU2J SMR000455748 BDBM58217 CHEMBL212314 N-(4-bromo-2-chloro-phenyl)-5-(2-methylthiazol-4-yl)thiophene-2-sulfonamide HMS2792P22 N2-(4-bromo-2-chlorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide AC1Q2OSF MolPort-001-805-761 ZINC1023475 Bio1C2 cid_2795741 N-(4-bromo-2-chlorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide [ Show all ]
Inchi Key	AMNKYHFERGWVCB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H10BrClN2O2S3/c1-8-17-12(7-21-8)13-4-5-14(22-13)23(19,20)18-11-3-2-9(15)6-10(11)16/h2-7,18H,1H3
PubChem CID	2795741
ChEMBL	CHEMBL212314
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
9074	Relaxin receptor 1	Q9HBX9	RXFP1	Homo sapiens (Human)	757

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417