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 DMFold 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

NamePINDOBIND-5-HT1A
Molecular formulaC23H34BrN3O3
IUPAC nameN-bromo-N-[4-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]propan-2-yl]-1-methylcyclohexyl]acetamide
Molecular weight480.447
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP3.6
SynonymsCAS_106469-52-7
BDBM82303
Inchi KeyOOCYDHRUXZVRQG-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H34BrN3O3/c1-16(28)27(24)23(4)11-8-17(9-12-23)22(2,3)26-14-18(29)15-30-21-7-5-6-20-19(21)10-13-25-20/h5-7,10,13,17-18,25-26,29H,8-9,11-12,14-15H2,1-4H3
PubChem CID57339580
ChEMBLN/A
IUPHARN/A
BindingDB82303
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
5564285-hydroxytryptamine receptor 7P50407HTR7Cavia porcellus (Guinea pig)446

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