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

NameCHEMBL3800506
Molecular formulaC14H13Cl2N3O3S
IUPAC name5-chloro-1-[(3-chloro-5-methylsulfonylphenyl)methyl]-2-iminopyridine-3-carboxamide
Molecular weight374.236
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP1.3
SynonymsBDBM50164765
SCHEMBL1261835
Inchi KeyBGAKUHVSAPLQTR-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H13Cl2N3O3S/c1-23(21,22)11-3-8(2-9(15)4-11)6-19-7-10(16)5-12(13(19)17)14(18)20/h2-5,7,17H,6H2,1H3,(H2,18,20)
PubChem CID57929612
ChEMBLCHEMBL3800506
IUPHARN/A
BindingDB50164765
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
522227Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572

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