Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL219162
Molecular formulaC25H21N3O4
IUPAC namemethyl N-[(3-methoxy-2-phenylquinoline-4-carbonyl)amino]-N-phenylcarbamate
Molecular weight427.46
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.8
Synonymscompound 2g [PMID: 16950620]
N',2-diphenylquinoline-4-carbohydrazide
D0W3XD
GTPL2129
SCHEMBL3959275
[ Show all ]
Inchi KeyJLSTVOPSMZBZSR-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H21N3O4/c1-31-23-21(24(29)27-28(25(30)32-2)18-13-7-4-8-14-18)19-15-9-10-16-20(19)26-22(23)17-11-5-3-6-12-17/h3-16H,1-2H3,(H,27,29)
PubChem CID16049828
ChEMBLCHEMBL219162
IUPHAR2129
BindingDB50194575
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
153935Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465
153936Neuromedin-K receptorP16177Tacr3Rattus norvegicus (Rat)452
153938Substance-K receptorP21452TACR2Homo sapiens (Human)398
153937Substance-P receptorP25103TACR1Homo sapiens (Human)407

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