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

NameCHEMBL1689054
Molecular formulaC29H38N4O3
IUPAC name(5R)-N-[3-(3,4-dimethoxyphenyl)pentan-3-yl]-2,7,7-trimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
Molecular weight490.648
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.5
Synonyms(5R)-N-[1-(3,4-Dimethoxyphenyl)-1-ethylpropyl]-2,7,7-trimethyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]-pyrimidine-3-carboxamide hydrochloride
BDBM50339741
CHEMBL1739754
Inchi KeyBAUAQZIPWDODEP-JOCHJYFZSA-N
Inchi IDInChI=1S/C29H38N4O3/c1-8-29(9-2,21-15-16-23(35-6)24(17-21)36-7)31-27(34)25-19(3)32-33-26(25)30-22(18-28(33,4)5)20-13-11-10-12-14-20/h10-17,22,30H,8-9,18H2,1-7H3,(H,31,34)/t22-/m1/s1
PubChem CID136188841
ChEMBLN/A
IUPHARN/A
BindingDB50339741
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
557857Extracellular calcium-sensing receptorP41180CASRHomo sapiens (Human)1078

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