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:

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	B1 bradykinin receptor
Species	Mus musculus (Mouse)
Gene	Bdkrb1
Synonym	bradykinin receptor BKR1 BK-1 receptor B1R B1BKR B1 receptor kinin B1 receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	334
Amino acid sequence	MASQASLKLQPSNQSQQAPPNITSCEGAPEAWDLLCRVLPGFVITVCFFGLLGNLLVLSFFLLPWRRWWQQRRQRLTIAEIYLANLAASDLVFVLGLPFWAENVGNRFNWPFGSDLCRVVSGVIKANLFISIFLVVAISQDRYRLLVYPMTSWGNRRRRQAQVTCLLIWVAGGLLSTPTFLLRSVKVVPDLNISACILLFPHEAWHFVRMVELNVLGFLLPLAAILYFNFHILASLRGQKEASRTRCGGPKDSKTMGLILTLVASFLVCWAPYHFFAFLDFLVQVRVIQDCFWKELTDLGLQLANFFAFVNSCLNPLIYVFAGRLFKTRVLGTL
UniProt	Q61125
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	CHEMBL1250407
IUPHAR	41
DrugBank	N/A

Ligand

Name	CHEMBL2087436
Molecular formula	C23H27Cl2N5O4S
IUPAC name	2-[[2-[(2,4-dichloro-3-methylphenyl)sulfonyl-methylamino]acetyl]amino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide
Molecular weight	540.46
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	2.0
Synonyms	BDBM50420567 SCHEMBL6760002
Inchi Key	PLHOBTDKXXTKQI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H27Cl2N5O4S/c1-15-18(24)8-9-19(22(15)25)35(33,34)30(3)14-20(31)28-12-21(32)29(2)13-16-4-6-17(7-5-16)23-26-10-11-27-23/h4-9H,10-14H2,1-3H3,(H,26,27)(H,28,31)
PubChem CID	10187167
ChEMBL	CHEMBL2087436
IUPHAR	N/A
BindingDB	50420567
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
pKb	6.4 -	PMID22369198	ChEMBL

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