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

NameCHEMBL173658
Molecular formulaC15H16N4
IUPAC name(6aR,12aS)-5,6,6a,7,12,12a-hexahydropyrimido[4,5-b]phenanthridin-10-amine
Molecular weight252.321
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP1.1
Synonyms(6aR)-5,6,6abeta,7,12,12aalpha-Hexahydro-6,9,11-triazabenzo[a]anthracene-10-amine
Inchi KeyAKSXJGUJIHQAOG-GXTWGEPZSA-N
Inchi IDInChI=1S/C15H16N4/c16-15-18-8-10-5-14-12(6-13(10)19-15)11-4-2-1-3-9(11)7-17-14/h1-4,8,12,14,17H,5-7H2,(H2,16,18,19)/t12-,14+/m0/s1
PubChem CID10538771
ChEMBLCHEMBL173658
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
7870D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
7868D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
7869D(3) dopamine receptorP19020Drd3Rattus norvegicus (Rat)446

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