Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe 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 SVMSEQ NeBcon ResPRE WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

Ligand

NameCHEMBL2002041
Molecular formulaC24H18ClN3O2
IUPAC name2-[5-chloro-2-(naphthalen-1-ylmethyl)-3-oxopyridazin-4-yl]-2-(4-methoxyphenyl)acetonitrile
Molecular weight415.877
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.4
SynonymsSR-02000001307
SR-02000001307-1
Inchi KeyBIHRXGOBANXBEE-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H18ClN3O2/c1-30-19-11-9-17(10-12-19)21(13-26)23-22(25)14-27-28(24(23)29)15-18-7-4-6-16-5-2-3-8-20(16)18/h2-12,14,21H,15H2,1H3
PubChem CID53257007
ChEMBLCHEMBL2002041
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
24448Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
24447Neuropeptides B/W receptor type 1P48145NPBWR1Homo sapiens (Human)328

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