Zhang Lab

National University of Singapore

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 ●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:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

Name	Glucagon-like peptide 1 receptor
Species	Homo sapiens (Human)
Gene	GLP1R
Synonym	glucagon-like peptide 1 receptor GLP-1R GLP-1-R GLP-1 receptor
Disease	Type 1/2 diabetes Type 1 diabetes Obesity Non-insulin dependent diabetes Non-alcoholic steatohepatitis Irritable bowel syndrome; Dyspepsia Unspecified Diabetes Brain injury Type 2 diabetes [ Show all ]
Length	463
Amino acid sequence	MAGAPGPLRLALLLLGMVGRAGPRPQGATVSLWETVQKWREYRRQCQRSLTEDPPPATDLFCNRTFDEYACWPDGEPGSFVNVSCPWYLPWASSVPQGHVYRFCTAEGLWLQKDNSSLPWRDLSECEESKRGERSSPEEQLLFLYIIYTVGYALSFSALVIASAILLGFRHLHCTRNYIHLNLFASFILRALSVFIKDAALKWMYSTAAQQHQWDGLLSYQDSLSCRLVFLLMQYCVAANYYWLLVEGVYLYTLLAFSVLSEQWIFRLYVSIGWGVPLLFVVPWGIVKYLYEDEGCWTRNSNMNYWLIIRLPILFAIGVNFLIFVRVICIVVSKLKANLMCKTDIKCRLAKSTLTLIPLLGTHEVIFAFVMDEHARGTLRFIKLFTELSFTSFQGLMVAILYCFVNNEVQLEFRKSWERWRLEHLHIQRDSSMKPLKCPTSSLSSGATAGSSMYTATCQASCS
UniProt	P43220
Protein Data Bank	5vex, 3c59, 3c5t, 5nx2, 3iol, 4zgm, 5otu, 5vew, 5otw, 5otx, 5otv
GPCR-HGmod model	P43220
3D structure model	This structure is from PDB ID 5vex.
BioLiP	BL0418498,BL0418499, BL0143794, BL0143795, BL0167479, BL0167480, BL0324354, BL0324355,BL0324356, BL0378791,BL0378792, BL0379513,BL0379514, BL0418500,BL0418501, BL0380967, BL0418494,BL0418495, BL0418496,BL0418497, BL0143732, BL0143731, BL0380966
Therapeutic Target Database	T36075
ChEMBL	CHEMBL1784
IUPHAR	249
DrugBank	BE0000857

Ligand

Name	FENRETINIDE
Molecular formula	C26H33NO2
IUPAC name	(2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
Molecular weight	391.555
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	7.3
Synonyms	N-(4-hydroxyphenyl)retinamide, 4-HPR BDBM50092055 NCGC00090752-09 CHEBI:42588 NSC374551 dimethyl-9-(2,6,6-trimethylcyclohex- Retinoic acid p-hydroxyphenylamide (2E,4E,6E,8E)-N-(4-Hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenamide Fenretinide (oral powder/Lym-X-Sorb, neuroblastoma), BioMolecular Products 2,6,8-Nonatetraenamide, N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl-, (all-E)- Fenretinidum 33819-EP2298748A2 HMS2089B17 4 HPR LP00625 4HPR MolPort-003-666-842 AK326150 SC-76490 SR-01000075917-1 UNII-187EJ7QEXL all-trans-4'-Hydroxyretinanilide NCGC00090752-03 BRN 5769490 NCGC00090752-12 CHEMBL7301 Pharmakon1600-01505602 DSSTox_RID_78900 Fenretinide (ILE formulation), Children's Hospital LA (2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide Fenretinide (soft gel capsule, AMD), ReVision Therapeutics 33819-EP2295055A2 FT-0081247 33819-EP2305642A2 HSCI1_000112 4-HPR McN-R-1967 A835178 N-(4-Hydroxyphenyl)-all-trans Retinamide RETINOID PROJECT 2 (4-(HYDROXYPHENYL)RETINAMIDE) (SEE RETINOID PROJECT 1,3,4, 5,6) SCHEMBL15703189 SYT-101 N-(4-Hydroxyphenyl)all-Trans Retinamide AOB6402 NCGC00090752-06 CCG-204713 NSC-374551 D08JAC Retinoic acid p-hydroxyanilide Fenretinida (2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-cyclohex-1-enyl)-nona-2,4,6,8-tetraenoic acid (4-hydroxy-phenyl)-amide Fenretinide (intravenous, cancer), SciTech Development 15-[(4-hydroxyphenyl)amino]retinal Fenretinide (USAN/INN) 33819-EP2295426A1 HMS1791G21 33819-EP2311829A1 KB-77316 4-Hydroxyphenyl retinamide MLS002701698 AC1NRB1E RETINOID PROJECT 6 (4-HPR) (SEE RETINOID PROJECTS 1,2,3,4,5) Spectrum5_001939 Tox21_200989 NCGC00090752-01 BML2-E08 NCGC00090752-10 CHEBI:92493 NSC760419 DSSTox_CID_12005 Fenretinide (4-HPR) (2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenamide Fenretinide (oral, AMD), Sytera 3,7-Dimethyl-9-(2,6,6-trimethyl-cyclohex-1-enyl)-nona-2,4,6,8-tetraenoic acid (4-hydroxy-phenyl)-amide Fenretinidum [Latin] 33819-EP2298764A1 HMS3261N12 4-(HYDROXYPHENYL)-RETINAMIDE (SEE RETINOID PROJECTS 1 AND 2.) LS-282 646F686 N-(4-Hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)-2,4,6,8-nonatetraeneamide AKJHMTWEGVYYSE-FXILSDISSA-N SCHEMBL11703 SR-01000075917-4 W-5119 all-trans-n-(4-hydroxyphenyl)retinamide NCGC00090752-04 BSPBio_001419 NCGC00258542-01 CS-0789 Retinamide, N-(4-hydroxyphenyl)- DTXSID2032005 Fenretinide (intralipid emulsion formulation), Children's Hospital of Los Angeles 1-enyl)nona-2,4,6,8-tetraenamide Fenretinide (soft gel capsule, AMD), Sirion 33819-EP2295406A1 H 7779 33819-EP2311453A1 HY-15373 4-HPR;(4-Hydroxyphenyl)retinamide MFCD00792674 AB00172992-07 N-(4-hydroxyphenyl)-retinamide RETINOID PROJECT 4 (4-HYDROXYPHENYL)RETINAMIDE (SEERETINOID PROJECT 1, 2, AND 3) SMR000677938 Tox21_111007 N-(4-Hydroxyphenyl)retinamide BCP06908 NCGC00090752-07 CCRIS 3260 NSC-760419 DB05076 Retinoic acid p-hydroxyanilide, >=95% Fenretinida [Spanish] (2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7- Fenretinide (iv), Children's Hospital LA 187EJ7QEXL Fenretinide [USAN:INN] 33819-EP2295427A1 HMS1989G21 3670AH Lopac0_000625 4-hydroxyphenylretinamide MLS006010811 AC1Q1QV3 RT-101 SR-01000075917 Tox21_500625 AKOS024456572 NCGC00090752-02 BP-13369 NCGC00090752-11 p-Hydroxyphenylretinamide DSSTox_GSID_32005 Fenretinide (Ewing's sarcoma), Cancer Research UK (2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-tetraenamide Fenretinide (pulmonary Pseudomonas aeruginosa infections in cystic fibrosis), McGill University 33819-EP2275420A1 Fenretinimide 33819-EP2298765A1 HMS3402G21 4-(hydroxyphenyl)retinamide LXS/4-HPR 65646-68-6 N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenamide SCHEMBL11704 ST-602 ZINC3871023 AN-7467 NCGC00090752-05 CAS-65646-68-6 NCGC00261310-01 D04162 Retinamide,N-(4-hydroxyphenyl)- EU-0100625 Fenretinide (intravenous emulsion, lymphoma/solid tumors/pediatric neuroblastomas/pediatric leukemia), CerRx 15-(4-Hydroxyanilino)retinal # Fenretinide (topical, actinic keratosis and cancer), SciTech Development 33819-EP2295416A2 HMS1361G21 33819-EP2311808A1 IDI1_033889 4-hydroxy(phenyl)retinamide MLS001055399 AB0109574 N-(4-Hydroxyphenyl)-trans-Retinamide RETINOID PROJECT 5 (4-HYDROXYPHENYL)RETINAMIDE (SEERETINOID PROJECT 1, 2, 3, 4) SMR001456303 Tox21_111007_1 [ Show all ]
Inchi Key	AKJHMTWEGVYYSE-FXILSDISSA-N
Inchi ID	InChI=1S/C26H33NO2/c1-19(11-16-24-21(3)10-7-17-26(24,4)5)8-6-9-20(2)18-25(29)27-22-12-14-23(28)15-13-22/h6,8-9,11-16,18,28H,7,10,17H2,1-5H3,(H,27,29)/b9-6+,16-11+,19-8+,20-18+
PubChem CID	5288209
ChEMBL	CHEMBL7301
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Potency	8912.5 nM	PubChem BioAssay data set	ChEMBL
Potency	11220.2 nM	PubChem BioAssay data set	ChEMBL

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417