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

NameCHEMBL3670644
Molecular formulaC26H28N4O5
IUPAC name[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(2-oxa-5-azaspiro[3.4]octan-5-ylmethyl)phenoxy]azetidin-1-yl]methanone
Molecular weight476.533
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP2.5
SynonymsUS8685958, 12
BDBM119763
PGYVQEAAPZQCSN-UHFFFAOYSA-N
(3-(4-(2-oxa-5-azaspiro[3.4]octan-5-ylmethyl)phenoxy)azetidin-1-yl)(5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)methanone
SCHEMBL14638208
Inchi KeyPGYVQEAAPZQCSN-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H28N4O5/c1-32-20-9-5-19(6-10-20)23-27-28-24(35-23)25(31)29-14-22(15-29)34-21-7-3-18(4-8-21)13-30-12-2-11-26(30)16-33-17-26/h3-10,22H,2,11-17H2,1H3
PubChem CID71227161
ChEMBLCHEMBL3670644
IUPHARN/A
BindingDB119763
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
259502Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
528969Melanin-concentrating hormone receptor 1Q8JZL2Mchr1Mus musculus (Mouse)353

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