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 DMFold 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

NameCHEMBL2375383
Molecular formulaC30H32N4O4S
IUPAC name2-[[3,3-diphenylpropyl(2-morpholin-4-ylethyl)carbamoyl]amino]-1,3-benzothiazole-6-carboxylic acid
Molecular weight544.67
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.6
SynonymsBDBM50432966
Inchi KeyBSMBIANOOOSMJL-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H32N4O4S/c35-28(36)24-11-12-26-27(21-24)39-29(31-26)32-30(37)34(16-15-33-17-19-38-20-18-33)14-13-25(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-12,21,25H,13-20H2,(H,35,36)(H,31,32,37)
PubChem CID73353386
ChEMBLCHEMBL2375383
IUPHARN/A
BindingDB50432966
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
31780Extracellular calcium-sensing receptorP41180CASRHomo sapiens (Human)1078

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