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

NameCHEMBL239733
Molecular formulaC24H27Cl2N3O
IUPAC nameN-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-3-ethynylbenzamide
Molecular weight444.4
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.4
SynonymsBDBM50221676
N-(5-(4-(2,3-dichlorophenyl)piperazin-1-yl)pentyl)-3-ethynylbenzamide
Inchi KeyBHVASJSYMURYLK-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H27Cl2N3O/c1-2-19-8-6-9-20(18-19)24(30)27-12-4-3-5-13-28-14-16-29(17-15-28)22-11-7-10-21(25)23(22)26/h1,6-11,18H,3-5,12-17H2,(H,27,30)
PubChem CID44436621
ChEMBLCHEMBL239733
IUPHARN/A
BindingDB50221676
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
241135-hydroxytryptamine receptor 2AP50129HTR2ASus scrofa (Pig)470
24112D(1A) dopamine receptorP50130DRD1Sus scrofa (Pig)446
24110D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
24111D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
522295D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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