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

NameSCHEMBL2349417
Molecular formulaC33H38N6O2
IUPAC nameN-[[(3S,5S)-3-(3-aminopropyl)-1-(2,2-diphenylethyl)-2-oxo-1,4-diazepan-5-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
Molecular weight550.707
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP4.0
SynonymsCHEMBL3902518
Inchi KeyBETBALQOLRCOSP-YTMVLYRLSA-N
Inchi IDInChI=1S/C33H38N6O2/c34-19-10-17-29-33(41)39(23-28(24-11-4-1-5-12-24)25-13-6-2-7-14-25)20-18-27(36-29)22-35-32(40)31-21-30(37-38-31)26-15-8-3-9-16-26/h1-9,11-16,21,27-29,36H,10,17-20,22-23,34H2,(H,35,40)(H,37,38)/t27-,29-/m0/s1
PubChem CID57854041
ChEMBLCHEMBL3902518
IUPHARN/A
BindingDB231869
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
533995Melanocortin receptor 5P33032MC5RHomo sapiens (Human)325

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