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

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe ResQ IonCom STRUM DAMpred

TM-score TM-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 WDL-RF ATPbind DockRMSD DeepMSA FASPR

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

You can:

Ligand

NameCHEMBL410905
Molecular formulaC20H20BrN3O3S2
IUPAC nameN-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-2-methyl-1,3-benzothiazole-7-sulfonamide
Molecular weight494.422
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.9
SynonymsN/A
Inchi KeyBFDMAOIEXOWNGA-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H20BrN3O3S2/c1-13-22-16-6-5-7-18(19(16)28-13)29(26,27)23-17-12-14(21)8-9-15(17)20(25)24-10-3-2-4-11-24/h5-9,12,23H,2-4,10-11H2,1H3
PubChem CID25033065
ChEMBLCHEMBL410905
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
22213Cholecystokinin receptor type AP32238CCKARHomo sapiens (Human)428
22212Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

yangzhanglabumich.edu | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218