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

NameCHEMBL176730
Molecular formulaC30H31N5
IUPAC name4-tert-butyl-N'-[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzenecarboximidamide
Molecular weight461.613
Hydrogen bond acceptor2
Hydrogen bond donor3
XlogP6.2
SynonymsBDBM50099169
N-[(R)-1-(4-Phenyl-1H-imidazole-2-yl)-2-(1H-indole-3-yl)ethyl]-4-tert-butylbenzamidine
4-tert-Butyl-N-[(R)-2-(1H-indol-3-yl)-1-(4-phenyl-1H-imidazol-2-yl)-ethyl]-benzamidine
Inchi KeyBKTYEOBBEGICIU-AREMUKBSSA-N
Inchi IDInChI=1S/C30H31N5/c1-30(2,3)23-15-13-21(14-16-23)28(31)34-26(17-22-18-32-25-12-8-7-11-24(22)25)29-33-19-27(35-29)20-9-5-4-6-10-20/h4-16,18-19,26,32H,17H2,1-3H3,(H2,31,34)(H,33,35)/t26-/m1/s1
PubChem CID44385757
ChEMBLCHEMBL176730
IUPHARN/A
BindingDB50099169
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
26167Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
26166Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
26163Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
26165Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
26164Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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