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

NameBDBM50331965
Molecular formulaC25H30N4O
IUPAC nameN-(1-adamantyl)-7,7-dimethyl-5-phenyl-6H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
Molecular weight402.542
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.2
SynonymsN-(1-Adamantyl)-7,7-dimethyl-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimid-ine-3-carboxamide
Inchi KeyBXPUDMBSRPQHNB-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H30N4O/c1-24(2)14-21(19-6-4-3-5-7-19)27-22-20(15-26-29(22)24)23(30)28-25-11-16-8-17(12-25)10-18(9-16)13-25/h3-7,15-18H,8-14H2,1-2H3,(H,28,30)
PubChem CID91933609
ChEMBLN/A
IUPHARN/A
BindingDB50331965
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
35316Extracellular calcium-sensing receptorP41180CASRHomo sapiens (Human)1078

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