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	CHEMBL265236
Molecular formula	C48H71N11O5
IUPAC name	N-[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]hexadecanamide
Molecular weight	882.168
Hydrogen bond acceptor	7
Hydrogen bond donor	9
XlogP	7.3
Synonyms	BDBM50166126 Hexadecanoic acid [(S)-1-((R)-1-{(S)-1-[(S)-1-carbamoyl-2-(1H-indol-3-yl)-ethylcarbamoyl]-4-guanidino-butylcarbamoyl}-2-phenyl-ethylcarbamoyl)-2-(3H-imidazol-4-yl)-ethyl]-amide
Inchi Key	FTHMBGYIBAGPMD-GFUJKPJOSA-N
Inchi ID	InChI=1S/C48H71N11O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-26-43(60)56-42(30-36-32-52-33-55-36)47(64)59-41(28-34-21-15-14-16-22-34)46(63)57-39(25-20-27-53-48(50)51)45(62)58-40(44(49)61)29-35-31-54-38-24-19-18-23-37(35)38/h14-16,18-19,21-24,31-33,39-42,54H,2-13,17,20,25-30H2,1H3,(H2,49,61)(H,52,55)(H,56,60)(H,57,63)(H,58,62)(H,59,64)(H4,50,51,53)/t39-,40-,41+,42-/m0/s1
PubChem CID	11423083
ChEMBL	CHEMBL265236
IUPHAR	N/A
BindingDB	50166126
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

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
86753	Melanocortin receptor 3	P33033	Mc3r	Mus musculus (Mouse)	323
86754	Melanocortin receptor 4	P56450	Mc4r	Mus musculus (Mouse)	332
86755	Melanocortin receptor 5	P41149	Mc5r	Mus musculus (Mouse)	325
86756	Melanocyte-stimulating hormone receptor	Q01727	Mc1r	Mus musculus (Mouse)	315

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