Zhang Lab

University of Michigan

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 ●DMFold ●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

GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	CHEMBL156186
Molecular formula	C36H41N5O6
IUPAC name	2-acetamido-N-[(2R)-3-(1-acetylindol-2-yl)-1-[[1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-hydroxybutanamide
Molecular weight	639.753
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	3.0
Synonyms	BDBM50408385
Inchi Key	POEPROHXWZELFO-XNWJXSQGSA-N
Inchi ID	InChI=1S/C36H41N5O6/c1-23(42)33(37-24(2)43)35(46)38-30(21-29-20-28-17-11-12-18-32(28)41(29)25(3)44)34(45)39-31(19-26-13-7-5-8-14-26)36(47)40(4)22-27-15-9-6-10-16-27/h5-18,20,23,30-31,33,42H,19,21-22H2,1-4H3,(H,37,43)(H,38,46)(H,39,45)/t23?,30-,31?,33?/m1/s1
PubChem CID	44370530
ChEMBL	CHEMBL156186
IUPHAR	N/A
BindingDB	50408385
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
264672	Neuromedin-K receptor	P16177	Tacr3	Rattus norvegicus (Rat)	452
264671	Substance-K receptor	P16610	Tacr2	Rattus norvegicus (Rat)	390
264670	Substance-P receptor	P30547	TACR1	Cavia porcellus (Guinea pig)	407

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