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	CHEMBL3401460
Molecular formula	C30H37N3O2
IUPAC name	(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-[4-(4-propan-2-yloxyphenyl)phenyl]-2-pyridin-2-ylcyclopropane-1-carboxamide
Molecular weight	471.645
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	5.3
Synonyms	BDBM50065916 LZUIELTTXOOADX-RFNYNIMXSA-N (1R,2R)-2-pyridin-2-yl-cyclopropanecarboxylic acid ((2S,3S)-2-amino-3-methyl-pentyl)-(4'-isopropoxy-biphenyl-4-yl)-amide SCHEMBL2516828
Inchi Key	LZUIELTTXOOADX-RFNYNIMXSA-N
Inchi ID	InChI=1S/C30H37N3O2/c1-5-21(4)28(31)19-33(30(34)27-18-26(27)29-8-6-7-17-32-29)24-13-9-22(10-14-24)23-11-15-25(16-12-23)35-20(2)3/h6-17,20-21,26-28H,5,18-19,31H2,1-4H3/t21-,26+,27+,28+/m0/s1
PubChem CID	51348672
ChEMBL	CHEMBL3401460
IUPHAR	N/A
BindingDB	50065916
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	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
449576	Probable G-protein coupled receptor 88	Q9GZN0	GPR88	Homo sapiens (Human)	384

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