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

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

You can:

Ligand

NameCHEMBL370576
Molecular formulaC27H27ClN4O2
IUPAC nameN-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-1-benzyl-5-chloroindazol-3-amine
Molecular weight474.989
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP6.0
SynonymsBDBM50174897
N-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-yl)-1-benzyl-5-chloro-1H-indazol-3-amine
Inchi KeyAGQMIBYVMCNPQS-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H27ClN4O2/c28-21-7-8-24-23(15-21)27(30-32(24)17-19-4-2-1-3-5-19)29-22-10-12-31(13-11-22)16-20-6-9-25-26(14-20)34-18-33-25/h1-9,14-15,22H,10-13,16-18H2,(H,29,30)
PubChem CID44405468
ChEMBLCHEMBL370576
IUPHARN/A
BindingDB50174897
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5120Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422

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