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

NameCHEMBL3091687
Molecular formulaC23H32N4
IUPAC nameN'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine
Molecular weight364.537
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.4
SynonymsGTPL9882
TIQ-15
N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine
SCHEMBL16541326
BDBM50443541
Inchi KeyMYCKNKHATQGHEV-YADHBBJMSA-N
Inchi IDInChI=1S/C23H32N4/c24-12-3-4-14-27(22-11-5-9-18-10-6-13-25-23(18)22)17-21-15-19-7-1-2-8-20(19)16-26-21/h1-2,6-8,10,13,21-22,26H,3-5,9,11-12,14-17,24H2/t21-,22+/m1/s1
PubChem CID57345320
ChEMBLCHEMBL3091687
IUPHAR9882
BindingDB50443541
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 15
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
216988C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355
216985C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374
216984C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355
216983C-C chemokine receptor type 4P51679CCR4Homo sapiens (Human)360
216989C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352
216980C-C chemokine receptor type 6P51684CCR6Homo sapiens (Human)374
216975C-C chemokine receptor type 7P32248CCR7Homo sapiens (Human)378
216981C-C chemokine receptor type 8P51685CCR8Homo sapiens (Human)355
216982C-C chemokine receptor type 9P51686CCR9Homo sapiens (Human)369
216986C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
216987C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360
216976C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368
216978C-X-C chemokine receptor type 4P61073CXCR4Homo sapiens (Human)352
216977C-X-C chemokine receptor type 5P32302CXCR5Homo sapiens (Human)372
216979C-X-C chemokine receptor type 6O00574CXCR6Homo sapiens (Human)342

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