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

NameCHEMBL1099113
Molecular formulaC23H16N2
IUPAC name5-(2-methylquinolin-7-yl)-2-phenylbenzonitrile
Molecular weight320.395
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP5.6
Synonyms5-(2-Methylquinolin-7-yl)-2-phenylbenzonitrile
BDBM50317849
D0M1EI
Inchi KeyAGKCPUQJKJZENU-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H16N2/c1-16-7-8-18-9-10-20(14-23(18)25-16)19-11-12-22(21(13-19)15-24)17-5-3-2-4-6-17/h2-14H,1H3
PubChem CID46888045
ChEMBLCHEMBL1099113
IUPHARN/A
BindingDB50317849
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4944Metabotropic glutamate receptor 1Q13255GRM1Homo sapiens (Human)1194
4942Metabotropic glutamate receptor 2Q14416GRM2Homo sapiens (Human)872
4943Metabotropic glutamate receptor 4Q14833GRM4Homo sapiens (Human)912
4945Metabotropic glutamate receptor 5P31424Grm5Rattus norvegicus (Rat)1203
4947Metabotropic glutamate receptor 6O15303GRM6Homo sapiens (Human)877
4946Metabotropic glutamate receptor 8O00222GRM8Homo sapiens (Human)908

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