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

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX 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 NeBcon WDL-RF ATPbind DockRMSD

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

You can:

Ligand

NameCHEMBL47177
Molecular formulaC33H35N7O2
IUPAC name6-[(2S,3aR)-2-methyl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b][1,2]oxazol-2-yl]-2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one
Molecular weight561.69
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.4
SynonymsCL-332877
SCHEMBL9295434
BDBM50282792
2-Butyl-6-((2S,3aR)-2-methyl-hexahydro-pyrrolo[1,2-b]isoxazol-2-yl)-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-quinazolin-4-one
Inchi KeyAAZOKMBAJGOCHB-HPMVVLTCSA-N
Inchi IDInChI=1S/C33H35N7O2/c1-3-4-11-30-34-29-17-16-24(33(2)20-25-8-7-18-40(25)42-33)19-28(29)32(41)39(30)21-22-12-14-23(15-13-22)26-9-5-6-10-27(26)31-35-37-38-36-31/h5-6,9-10,12-17,19,25H,3-4,7-8,11,18,20-21H2,1-2H3,(H,35,36,37,38)/t25-,33+/m1/s1
PubChem CID11527144
ChEMBLCHEMBL47177
IUPHARN/A
BindingDB50282792
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
660Type-1 angiotensin II receptorP25104AGTR1Bos taurus (Bovine)359
661Type-1 angiotensin II receptorP30556AGTR1Homo sapiens (Human)359

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