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
SpeciesHomo sapiens (Human)
GeneHTR7
Synonym5-HT-7
Serotonin receptor 7
5-HT-X
5-HT1Y
5-HT7
[ Show all ]
DiseaseSleep disorders
Schizophrenia
Major depressive disorder
Length479
Amino acid sequenceMMDVNSSGRPDLYGHLRSFLLPEVGRGLPDLSPDGGADPVAGSWAPHLLSEVTASPAPTWDAPPDNASGCGEQINYGRVEKVVIGSILTLITLLTIAGNCLVVISVCFVKKLRQPSNYLIVSLALADLSVAVAVMPFVSVTDLIGGKWIFGHFFCNVFIAMDVMCCTASIMTLCVISIDRYLGITRPLTYPVRQNGKCMAKMILSVWLLSASITLPPLFGWAQNVNDDKVCLISQDFGYTIYSTAVAFYIPMSVMLFMYYQIYKAARKSAAKHKFPGFPRVEPDSVIALNGIVKLQKEVEECANLSRLLKHERKNISIFKREQKAATTLGIIVGAFTVCWLPFFLLSTARPFICGTSCSCIPLWVERTFLWLGYANSLINPFIYAFFNRDLRTTYRSLLQCQYRNINRKLSAAGMHEALKLAERPERPEFVLRACTRRVLLRPEKRPPVSVWVLQSPDHHNWLADKMLTTVEKKVMIHD
UniProtP34969
Protein Data BankN/A
GPCR-HGmod modelP34969
3D structure modelThis predicted structure model is from GPCR-EXP P34969.
BioLiPN/A
Therapeutic Target DatabaseT79062
ChEMBLCHEMBL3155
IUPHAR12
DrugBankBE0000650, BE0004862

Ligand

NameCHEMBL281048
Molecular formulaC18H18N2
IUPAC name(6R,14R)-13-methyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15)-hexaen-6-amine
Molecular weight262.356
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP1.6
Synonyms(1R,5aR)-6-methyl-1,5,5a,6,7,8-hexahydro-6-aza-benzo[mno]aceanthrylen-1-ylamine
6-Methyl-1,5,5a,6,7,8-hexahydro-6-aza-benzo[mno]aceanthrylen-1-ylamine
(6aR,12R)-4,5,6,6abeta-Tetrahydro-1,11-methano-12-amino-6-methyl-7H-dibenzo[de,g]quinoline
BDBM50087035
Inchi KeyDAKGDRVNCPHAPY-RDTXWAMCSA-N
Inchi IDInChI=1S/C18H18N2/c1-20-8-7-10-5-6-13-17-15-11(9-14(20)16(10)17)3-2-4-12(15)18(13)19/h2-6,14,18H,7-9,19H2,1H3/t14-,18-/m1/s1
PubChem CID10706626
ChEMBLCHEMBL281048
IUPHARN/A
BindingDB50087035
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki13.0 nMPMID12825922BindingDB
Ki13.4 nMPMID12825922ChEMBL

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