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

Name5-hydroxytryptamine receptor 7
SpeciesCavia porcellus (Guinea pig)
GeneHTR7
Synonym5-HT-7
5-HT-X
5-HT7
Serotonin receptor 7
DiseaseN/A for non-human GPCRs
Length446
Amino acid sequenceMMGVNSSGRPDLYGHLHSILLPGRGLPDWSPDGGADPGVSTWTPRLLSGVPEVAASPSPSWDGTWDNVSGCGEQINYGRAEKVVIGSILTLITLLTIAGNCLVVISVCFVKKLRQPSNYLIVSLALADLSVAVAVIPFVSVTDLIGGKWIFGHFFCNVFIAMDVMCCTASIMTLCVISIDRYLGITRPLTYPVRQNGKCMPKMILSVWLLSASITLPPLFGWAQNVNDDKVCLISQDFGYTIYSTAVAFYIPMSVMLFMYYRIYKAARKSAAKHKFPGFPRVQPESIISLNGMVKLQKEVEECANLSRLLKHERKNISIFKREQKAATTLGIIVGAFTVCWLPFFLLSTARPFICGTACSCIPLWVERTCLWLGYANSLINPFIYAFFNRDLRTTYRSLLQCQYRNINRKLSAAGMHEALKLAERPERPECVLQNSDYCRKKGHDS
UniProtP50407
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5494
IUPHARN/A
DrugBankN/A

Ligand

NameSB-269970
Molecular formulaC18H28N2O3S
IUPAC name3-[(2R)-2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]sulfonylphenol
Molecular weight352.493
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.9
Synonyms201038-74-6
AX8294918
CS-1645
KB-80497
SB-269,970
[ Show all ]
Inchi KeyHWKROQUZSKPIKQ-MRXNPFEDSA-N
Inchi IDInChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3/t16-/m1/s1
PubChem CID6604889
ChEMBLCHEMBL282199
IUPHAR3233, 3247
BindingDB50098551
DrugBankDB13988

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Kd3.981 nMPMID17649988ChEMBL
Kd6.31 nMPMID17649988ChEMBL
Kd7.943 nMPMID17649988ChEMBL
Kd8.913 nMPMID17649988ChEMBL
Kd10.96 nMPMID18800769ChEMBL
Kd12.59 nMPMID17649988ChEMBL
Kd14.45 nMPMID17649988, PMID18800769ChEMBL
Kd15.85 nMPMID18800769ChEMBL
Kd20.42 nMPMID18800769ChEMBL
Kd33.11 nMPMID17649988, PMID18800769ChEMBL

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