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

NameMLS001116168
Molecular formulaC19H15ClFN3O3S
IUPAC name5-chloro-N-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide
Molecular weight419.855
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.5
Synonyms5-chloro-N-(4-fluorophenyl)-2-[(2-methylbenzyl)sulfonyl]pyrimidine-4-carboxamide
cid_16452954
ZINC9206947
MLS-0363689.0001
5-chloranyl-N-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide
[ Show all ]
Inchi KeyLIEQNFQFBUWUFS-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H15ClFN3O3S/c1-12-4-2-3-5-13(12)11-28(26,27)19-22-10-16(20)17(24-19)18(25)23-15-8-6-14(21)7-9-15/h2-10H,11H2,1H3,(H,23,25)
PubChem CID16452954
ChEMBLCHEMBL1477528
IUPHARN/A
BindingDB54506
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
188131Apelin receptorP35414APLNRHomo sapiens (Human)380
188128C-C chemokine receptor type 6P51684CCR6Homo sapiens (Human)374
188129C-X-C chemokine receptor type 5P32302CXCR5Homo sapiens (Human)372
188130Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
188127Lutropin-choriogonadotropic hormone receptorP22888LHCGRHomo sapiens (Human)699
188126Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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