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

NameCHEMBL49259
Molecular formulaC39H49N5O7
IUPAC name(3R)-3-[[(2R)-2-amino-3-naphthalen-1-ylpropanoyl]amino]-4-[[1-[[(2S)-3-(1H-indol-3-yl)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-methylamino]-1-oxohexan-2-yl]amino]-4-oxobutanoic acid
Molecular weight699.849
Hydrogen bond acceptor8
Hydrogen bond donor5
XlogP2.8
Synonyms3-(2-Amino-3-naphthalen-1-yl-propionylamino)-N-(1-{[1-tert-butoxycarbonyl-2-(1H-indol-3-yl)-ethyl]-methyl-carbamoyl}-pentyl)-succinamic acid
BDBM50046113
Inchi KeyAKMAQRSSWLEOTI-LVVCFRGDSA-N
Inchi IDInChI=1S/C39H49N5O7/c1-6-7-18-31(37(49)44(5)33(38(50)51-39(2,3)4)21-26-23-41-30-19-11-10-17-28(26)30)42-36(48)32(22-34(45)46)43-35(47)29(40)20-25-15-12-14-24-13-8-9-16-27(24)25/h8-17,19,23,29,31-33,41H,6-7,18,20-22,40H2,1-5H3,(H,42,48)(H,43,47)(H,45,46)/t29-,31?,32-,33+/m1/s1
PubChem CID44293079
ChEMBLN/A
IUPHARN/A
BindingDB50046113
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
7676Cholecystokinin receptor type AQ63931CCKARCavia porcellus (Guinea pig)430
7677Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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