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

NameCHEMBL3099899
Molecular formulaC26H21Cl2N3O3
IUPAC name5-(3,5-dichlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide
Molecular weight494.372
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.0
SynonymsBDBM50444605
SCHEMBL3624130
5-(3,5-dichlorophenyl)-n-(3,4-dimethoxybenzyl)-2,3'-bipyridine-3-carboxamide
VDWKDBPHAPPUBO-UHFFFAOYSA-N
Inchi KeyVDWKDBPHAPPUBO-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H21Cl2N3O3/c1-33-23-6-5-16(8-24(23)34-2)13-31-26(32)22-11-19(18-9-20(27)12-21(28)10-18)15-30-25(22)17-4-3-7-29-14-17/h3-12,14-15H,13H2,1-2H3,(H,31,32)
PubChem CID25060119
ChEMBLCHEMBL3099899
IUPHARN/A
BindingDB50444605
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 80
Page:  / 5 

GLASS IDNameUniProtGeneSpeciesLength
3526365-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
3526565-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
3526425-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
3526645-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
3527045-hydroxytryptamine receptor 4O70528HTR4Cavia porcellus (Guinea pig)388
3527035-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
352658Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
352682Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
455735Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
352674Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
352645Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
352640Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
352671Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
352677B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353
352644B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391
352683Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
352633Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
352667Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408
352678C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355
352698C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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