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

NameCHEMBL1224608
Molecular formulaC24H27N5O4
IUPAC name2-amino-N-[2-[3-[2-(cyclopropylmethylamino)-2-oxoethyl]-4-oxo-2-phenylquinazolin-6-yl]oxyethyl]acetamide
Molecular weight449.511
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP1.0
SynonymsBDBM50325827
2-amino-N-(2-(3-(2-(cyclopropylmethylamino)-2-oxoethyl)-4-oxo-2-phenyl-3,4-dihydroquinazolin-6-yloxy)ethyl)acetamide
Inchi KeyBSHQGACATZYJOG-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H27N5O4/c25-13-21(30)26-10-11-33-18-8-9-20-19(12-18)24(32)29(15-22(31)27-14-16-6-7-16)23(28-20)17-4-2-1-3-5-17/h1-5,8-9,12,16H,6-7,10-11,13-15,25H2,(H,26,30)(H,27,31)
PubChem CID49866220
ChEMBLCHEMBL1224608
IUPHARN/A
BindingDB50325827
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
31670Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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