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

NameCHEMBL241424
Molecular formulaC30H33N3O2
IUPAC nameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-(2-phenylethynyl)benzamide
Molecular weight467.613
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.5
SynonymsBDBM50221663
N-{4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl}-4-phenylethynylbenzamide
Inchi KeyGJRMDYLDWDRDIG-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H33N3O2/c1-35-29-12-6-5-11-28(29)33-23-21-32(22-24-33)20-8-7-19-31-30(34)27-17-15-26(16-18-27)14-13-25-9-3-2-4-10-25/h2-6,9-12,15-18H,7-8,19-24H2,1H3,(H,31,34)
PubChem CID44436601
ChEMBLCHEMBL241424
IUPHARN/A
BindingDB50221663
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
981785-hydroxytryptamine receptor 2AP50129HTR2ASus scrofa (Pig)470
98176D(1A) dopamine receptorP50130DRD1Sus scrofa (Pig)446
98177D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
98175D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
524403D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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