Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX SSIPe ResQ IonCom STRUM DAMpred

TM-score TM-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 WDL-RF ATPbind DockRMSD DeepMSA

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL3670650
Molecular formulaC27H28F2N4O5
IUPAC name[5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-[3-[2-methoxy-4-(2-oxa-5-azaspiro[3.4]octan-5-ylmethyl)phenoxy]azetidin-1-yl]methanone
Molecular weight526.541
Hydrogen bond acceptor10
Hydrogen bond donor0
XlogP3.1
SynonymsSCHEMBL14638220
AOUVKOSBHGGHLV-UHFFFAOYSA-N
BDBM119769
US8685958, 18
(3-(4-(2-oxa-5-azaspiro[3.4]octan-5-ylmethyl)-2-methoxyphenoxy)azetidin-1-yl)(5-(4-(difluoromethyl)phenyl)-1,3,4-oxadiazol-2-yl)methanone
Inchi KeyAOUVKOSBHGGHLV-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H28F2N4O5/c1-35-22-11-17(12-33-10-2-9-27(33)15-36-16-27)3-8-21(22)37-20-13-32(14-20)26(34)25-31-30-24(38-25)19-6-4-18(5-7-19)23(28)29/h3-8,11,20,23H,2,9-10,12-16H2,1H3
PubChem CID71227171
ChEMBLCHEMBL3670650
IUPHARN/A
BindingDB119769
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
10615Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422

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