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

NameCHEMBL48897
Molecular formulaC32H37ClN4O3S
IUPAC namepropan-2-yl N-[3-chloro-5-[[[6-[2-(5-ethyl-4-methyl-1,3-thiazol-2-yl)ethyl]-4-(2-phenylethoxy)pyridin-2-yl]amino]methyl]phenyl]carbamate
Molecular weight593.183
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP8.2
SynonymsBDBM50142772
[3-Chloro-5-({6-[2-(5-ethyl-4-methyl-thiazol-2-yl)-ethyl]-4-phenethyloxy-pyridin-2-ylamino}-methyl)-phenyl]-carbamic acid isopropyl ester
Inchi KeyAEHVGXRWBYJEPN-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H37ClN4O3S/c1-5-29-22(4)35-31(41-29)12-11-26-18-28(39-14-13-23-9-7-6-8-10-23)19-30(36-26)34-20-24-15-25(33)17-27(16-24)37-32(38)40-21(2)3/h6-10,15-19,21H,5,11-14,20H2,1-4H3,(H,34,36)(H,37,38)
PubChem CID44294383
ChEMBLCHEMBL48897
IUPHARN/A
BindingDB50142772
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3478Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384

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