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

NameCHEMBL571758
Molecular formulaC14H11BrClN3
IUPAC name7-bromo-N-(3-chlorophenyl)-1-methylpyrrolo[3,2-c]pyridin-4-amine
Molecular weight336.617
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP4.1
Synonyms(7-Bromo-1-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl)-(3-chloro-phenyl)-amine
JFIOFXPCIFBCIW-UHFFFAOYSA-N
SCHEMBL3993495
Inchi KeyJFIOFXPCIFBCIW-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H11BrClN3/c1-19-6-5-11-13(19)12(15)8-17-14(11)18-10-4-2-3-9(16)7-10/h2-8H,1H3,(H,17,18)
PubChem CID45487767
ChEMBLCHEMBL571758
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: 23
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
149588Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
149601Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
447611Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
149604Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
149592B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391
149606Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
149589C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360
149587Cannabinoid receptor 1P20272Cnr1Rattus norvegicus (Rat)473
149591Cholecystokinin receptor type AP32238CCKARHomo sapiens (Human)428
149585D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
149602D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
149599Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427
149598Galanin receptor type 2O43603GALR2Homo sapiens (Human)387
149597Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
149586Histamine H2 receptorP25021HRH2Homo sapiens (Human)359
149605Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
149593Melatonin receptor type 1AP48039MTNR1AHomo sapiens (Human)350
149595Muscarinic acetylcholine receptor M1P11229CHRM1Homo sapiens (Human)460
149596Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466
149590Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590

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