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

NameCHEMBL179837
Molecular formulaC35H37ClN4O4S
IUPAC nameN-[(2R)-3-(4-chlorophenyl)-1-[4-[2-[cyclopropylmethyl(methylsulfonyl)amino]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]naphthalene-2-carboxamide
Molecular weight645.215
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP6.1
SynonymsBDBM50162716
Naphthalene-2-carboxylic acid ((R)-1-(4-chloro-benzyl)-2-{4-[2-(cyclopropylmethyl-methanesulfonyl-amino)-phenyl]-piperazin-1-yl}-2-oxo-ethyl)-amide
Inchi KeyAMAVLJGPQBNVJH-WJOKGBTCSA-N
Inchi IDInChI=1S/C35H37ClN4O4S/c1-45(43,44)40(24-26-10-11-26)33-9-5-4-8-32(33)38-18-20-39(21-19-38)35(42)31(22-25-12-16-30(36)17-13-25)37-34(41)29-15-14-27-6-2-3-7-28(27)23-29/h2-9,12-17,23,26,31H,10-11,18-22,24H2,1H3,(H,37,41)/t31-/m1/s1
PubChem CID44390422
ChEMBLCHEMBL179837
IUPHARN/A
BindingDB50162716
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
8708Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332

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