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

NameCHEMBL368255
Molecular formulaC30H41N5O5
IUPAC name5-methyl-2-[(1R)-2-(1-methylindol-3-yl)-1-[[(2S)-4-methyl-2-[(3-methylcyclohexyl)carbamoylamino]pentanoyl]amino]ethyl]-1,3-oxazole-4-carboxylic acid
Molecular weight551.688
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP5.0
SynonymsBDBM50050049
SCHEMBL9109862
5-Methyl-2-((R)-2-(1-methyl-1H-indol-3-yl)-1-{(S)-4-methyl-2-[3-(3-methyl-cyclohexyl)-ureido]-pentanoylamino}-ethyl)-oxazole-4-carboxylic acid
Inchi KeyAJFKBUVXIDWTCP-NWOKVLSISA-N
Inchi IDInChI=1S/C30H41N5O5/c1-17(2)13-23(33-30(39)31-21-10-8-9-18(3)14-21)27(36)32-24(28-34-26(29(37)38)19(4)40-28)15-20-16-35(5)25-12-7-6-11-22(20)25/h6-7,11-12,16-18,21,23-24H,8-10,13-15H2,1-5H3,(H,32,36)(H,37,38)(H2,31,33,39)/t18?,21?,23-,24+/m0/s1
PubChem CID44385940
ChEMBLCHEMBL368255
IUPHARN/A
BindingDB50050049
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6865Endothelin receptor type BP35463EDNRBSus scrofa (Pig)443
6864Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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