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	CHEMBL64770
Molecular formula	C30H38N2O6
IUPAC name	2-adamantyl N-[1-[[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-2-methyl-1-oxopropan-2-yl]carbamate
Molecular weight	522.642
Hydrogen bond acceptor	6
Hydrogen bond donor	5
XlogP	3.7
Synonyms	BDBM50289884 [1-((1R,2R)-2-Hydroxy-1-hydroxymethyl-2-phenyl-ethylcarbamoyl)-2-(4-hydroxy-phenyl)-1-methyl-ethyl]-carbamic acid adamantan-2-yl ester
Inchi Key	CEYDBBQFSNUMDN-AYFZRRGRSA-N
Inchi ID	InChI=1S/C30H38N2O6/c1-30(16-18-7-9-24(34)10-8-18,28(36)31-25(17-33)26(35)21-5-3-2-4-6-21)32-29(37)38-27-22-12-19-11-20(14-22)15-23(27)13-19/h2-10,19-20,22-23,25-27,33-35H,11-17H2,1H3,(H,31,36)(H,32,37)/t19?,20?,22?,23?,25-,26-,27?,30?/m1/s1
PubChem CID	44303298
ChEMBL	CHEMBL64770
IUPHAR	N/A
BindingDB	50289884
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
40394	Gastrin/cholecystokinin type B receptor	P56481	Cckbr	Mus musculus (Mouse)	453

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