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

You can:

GPCR

NameAlpha-1B adrenergic receptor
SpeciesRattus norvegicus (Rat)
GeneAdra1b
Synonymadrenergic receptor
alpha 1B-adrenoceptor
alpha 1B-adrenoreceptor
adrenergic alpha 1B receptor
Alpha-1B adrenoceptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length515
Amino acid sequenceMNPDLDTGHNTSAPAHWGELKDDNFTGPNQTSSNSTLPQLDVTRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAIADLLLSFTVLPFSATLEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAGVMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVVGMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFMRILGCQCRGGRRRRRRRRLGACAYTYRPWTRGGSLERSQSRKDSLDDSGSCMSGTQRTLPSASPSPGYLGRGTQPPVELCAFPEWKPGALLSLPEPPGRRGRLDSGPLFTFKLLGDPESPGTEGDTSNGGCDTTTDLANGQPGFKSNMPLAPGHF
UniProtP15823
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL315
IUPHAR23
DrugBankN/A

Ligand

Nameprazosin
Molecular formulaC19H21N5O4
IUPAC name[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
Molecular weight383.408
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP2.0
SynonymsSBI-0051487.P003
Spectrum4_000483
Tocris-0623
Z275127478
[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(2-furyl)methanone
[ Show all ]
Inchi KeyIENZQIKPVFGBNW-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
PubChem CID4893
ChEMBLCHEMBL2
IUPHAR503
BindingDB29568
DrugBankDB00457

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC500.178 nMDrugMatrix in vitro pharmacology dataChEMBL
IC500.19 nMPMID19788200BindingDB
IC500.27 nMPMID23403082ChEMBL
IC500.851 nMPMID21549456BindingDB
IC500.8511 nMPMID21549456ChEMBL
Inhibition11.0 %PMID23403082ChEMBL
Kd0.977 nMPMID15633998BindingDB
Kd0.9772 nMPMID15633998ChEMBL
Kd1.02 nMPMID9822553BindingDB
Kd1.023 nMPMID9871765, PMID9822553ChEMBL
Ki0.099 nMDrugMatrix in vitro pharmacology dataChEMBL
Ki0.1 nMPMID16723224BindingDB,ChEMBL
Ki0.15 nMPMID23403082, PMID10602703BindingDB,ChEMBL
Ki0.2 nMPMID9548811BindingDB,ChEMBL
Ki0.55 nMPMID21549456BindingDB,ChEMBL
Ki0.56 nMPMID1706716BindingDB
Ki2.93 nMPMID9572880BindingDB,ChEMBL
pKb8.74 -PMID11462977ChEMBL
pKB9.06 -PMID14584940ChEMBL

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