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	aminothiazole, 13
Molecular formula	C32H29F6N3O3S
IUPAC name	3-[[4-[(N-[4-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-3-methyl-4-propan-2-ylanilino)methyl]benzoyl]amino]propanoic acid
Molecular weight	649.652
Hydrogen bond acceptor	12
Hydrogen bond donor	2
XlogP	8.2
Synonyms	CHEMBL502694 BDBM29116 SCHEMBL2648648
Inchi Key	FDAPJZJLEIYQAN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C32H29F6N3O3S/c1-18(2)26-9-8-25(12-19(26)3)41(16-20-4-6-21(7-5-20)29(44)39-11-10-28(42)43)30-40-27(17-45-30)22-13-23(31(33,34)35)15-24(14-22)32(36,37)38/h4-9,12-15,17-18H,10-11,16H2,1-3H3,(H,39,44)(H,42,43)
PubChem CID	22496546
ChEMBL	CHEMBL502694
IUPHAR	N/A
BindingDB	29116
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. 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
75421	Gastric inhibitory polypeptide receptor	P48546	GIPR	Homo sapiens (Human)	466
75420	Glucagon receptor	P47871	GCGR	Homo sapiens (Human)	477

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