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

You can:

Ligand

NameAC1LCZ0G
Molecular formulaC12H10Br2N2OS
IUPAC nameN-(1,3-benzothiazol-2-yl)-2,2-dibromo-1-methylcyclopropane-1-carboxamide
Molecular weight390.093
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.8
SynonymsAKOS001606731
MCULE-9114711013
N-1,3-benzothiazol-2-yl-2,2-dibromo-1-methylcyclopropanecarboxamide
MolPort-002-155-020
ST094788
[ Show all ]
Inchi KeyBQUFNWKWHJFATH-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H10Br2N2OS/c1-11(6-12(11,13)14)9(17)16-10-15-7-4-2-3-5-8(7)18-10/h2-5H,6H2,1H3,(H,15,16,17)
PubChem CID609181
ChEMBLCHEMBL1411818
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
30658Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
30656Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757
30659Relaxin receptor 2Q8WXD0RXFP2Homo sapiens (Human)754
30657Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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