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

NameCHEMBL214671
Molecular formulaC27H29N3O5S2
IUPAC namebutyl N-[3-[4-(imidazol-1-ylmethyl)phenyl]-5-[(3-methoxyphenyl)methyl]thiophen-2-yl]sulfonylcarbamate
Molecular weight539.665
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.6
SynonymsN-butyloxycarbonyl-3-(4-imidazol-1-ylmethylphenyl)-5-(3-methoxy-benzyl)thiophene-2-sulfonamide
BDBM50199323
Inchi KeyBECFIRDMFABPHG-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H29N3O5S2/c1-3-4-14-35-27(31)29-37(32,33)26-25(17-24(36-26)16-21-6-5-7-23(15-21)34-2)22-10-8-20(9-11-22)18-30-13-12-28-19-30/h5-13,15,17,19H,3-4,14,16,18H2,1-2H3,(H,29,31)
PubChem CID11994288
ChEMBLCHEMBL214671
IUPHARN/A
BindingDB50199323
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
21431Type-2 angiotensin II receptorP35351Agtr2Rattus norvegicus (Rat)363
21432Type-2 angiotensin II receptorP50052AGTR2Homo sapiens (Human)363

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