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	Type-1B angiotensin II receptor
Species	Rattus norvegicus (Rat)
Gene	Agtr1b
Synonym	Angiotensin II type-1B receptor AT1B AT3
Disease	N/A for non-human GPCRs
Length	359
Amino acid sequence	MTLNSSTEDGIKRIQDDCPKAGRHNYIFVMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNHLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLMAGLASLPAVIYRNVYFIENTNITVCAFHYESQNSTLPIGLGLTKNILGFVFPFLIILTSYTLIWKALKKAYKIQKNTPRNDDIFRIIMAIVLFFFFSWVPHQIFTFLDVLIQLGIIRDCEIADIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPTAKSHAGLSTKMSTLSYRPSDNMSSSAKKSASFFEVE
UniProt	P29089
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL263
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL301705
Molecular formula	C29H30N4O5
IUPAC name	2-butyl-3-[[4-[[(2S)-2-(2-carboxypyrrol-1-yl)-3-phenylpropanoyl]amino]phenyl]methyl]imidazole-4-carboxylic acid
Molecular weight	514.582
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	4.8
Synonyms	1-[4-[[(S)-1-Oxo-2-benzyl-2-[2-carboxy-1H-pyrrol-1-yl]ethyl]amino]benzyl]-2-butyl-1H-imidazole-5-carboxylic acid BDBM50047929 2-Butyl-3-{4-[2-(2-carboxy-pyrrol-1-yl)-3-phenyl-propionylamino]-benzyl}-3H-imidazole-4-carboxylic acid
Inchi Key	GRBUICWYQXVYKZ-DEOSSOPVSA-N
Inchi ID	InChI=1S/C29H30N4O5/c1-2-3-11-26-30-18-25(29(37)38)33(26)19-21-12-14-22(15-13-21)31-27(34)24(17-20-8-5-4-6-9-20)32-16-7-10-23(32)28(35)36/h4-10,12-16,18,24H,2-3,11,17,19H2,1H3,(H,31,34)(H,35,36)(H,37,38)/t24-/m0/s1
PubChem CID	15356436
ChEMBL	CHEMBL301705
IUPHAR	N/A
BindingDB	50047929
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	20.0 nM	PMID8510101	BindingDB,ChEMBL

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