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	CHEMBL71069
Molecular formula	C40H42N4O7S
IUPAC name	5-[[benzoyl(benzyl)amino]methyl]-3-[[4-[2-(2-methylpropoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-2-propylimidazole-4-carboxylic acid
Molecular weight	722.857
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	7.2
Synonyms	BDBM50283190 4-benzyl(phenyl)carboxamidomethyl-1-{4-[2-(isobutyloxycarbonylsulfamoyl)phenyl]benzyl}-2-propyl-1H-5-imidazolecarboxylic acid
Inchi Key	FMZIMNSMDWESBK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C40H42N4O7S/c1-4-13-36-41-34(26-43(24-29-14-7-5-8-15-29)38(45)32-16-9-6-10-17-32)37(39(46)47)44(36)25-30-20-22-31(23-21-30)33-18-11-12-19-35(33)52(49,50)42-40(48)51-27-28(2)3/h5-12,14-23,28H,4,13,24-27H2,1-3H3,(H,42,48)(H,46,47)
PubChem CID	44311496
ChEMBL	CHEMBL71069
IUPHAR	N/A
BindingDB	50283190
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	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
82391	Type-1 angiotensin II receptor	P30556	AGTR1	Homo sapiens (Human)	359
82392	Type-2 angiotensin II receptor	P50052	AGTR2	Homo sapiens (Human)	363

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