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

NameSomatostatin receptor type 3
SpeciesMus musculus (Mouse)
GeneSstr3
SynonymSSR-28
SS3R
SS3-R
SS-3-R
SRIF1C
[ Show all ]
DiseaseN/A for non-human GPCRs
Length428
Amino acid sequenceMATVTYPSSEPTTLDPGNASSTWPLDTTLGNTSAGASLTGLAVSGILISLVYLVVCVVGLLGNSLVIYVVLRHTSSPSVTSVYILNLALADELFMLGLPFLAAQNALSYWPFGSLMCRLVMAVDGINQFTSIFCLTVMSVDRYLAVVHPTRSARWRTAPVARTVSAAVWVASAVVVLPVVVFSGVPRGMSTCHMQWPEPAAAWRTAFIIYTAALGFFGPLLVICLCYLLIVVKVRSTTRRVRAPSCQWVQAPACQRRRRSERRVTRMVVAVVALFVLCWMPFYLLNIVNVVCPLPEEPAFFGLYFLVVALPYANSCANPILYGFLSYRFKQGFRRILLRPSRRIRSQEPGSGPPEKTEEEEDEEEEERREEEERRMQRGQEMNGRLSQIAQAGTSGQQPRPCTGTAKEQQLLPQEATAGDKASTLSHL
UniProtP30935
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2238
IUPHAR357
DrugBankN/A

Ligand

NameBDBM82466
Molecular formulaC55H68ClN9O8
IUPAC name(3S,6S,9S,12R,15S,18S)-9-(4-aminobutyl)-3,15-dibenzyl-18-[(4-chlorophenyl)methyl]-6-[(1R)-1-hydroxyethyl]-12-(1H-indol-3-ylmethyl)-1,4,7,10,13,16,19-heptazacyclohexacosane-2,5,8,11,14,17,20-heptone
Molecular weight1018.65
Hydrogen bond acceptor9
Hydrogen bond donor10
XlogP6.2
SynonymsL-362,862
L-362862
c[Aha-Phe-p-C1-Phe-D-Trp-Lys-Thr-Phe]
Inchi KeyDFYIJRIFNXQXAY-FHTVTOFSSA-N
Inchi IDInChI=1S/C55H68ClN9O8/c1-35(66)49-55(73)64-44(30-36-16-6-4-7-17-36)50(68)58-29-15-3-2-10-23-48(67)60-45(32-38-24-26-40(56)27-25-38)52(70)62-46(31-37-18-8-5-9-19-37)53(71)63-47(33-39-34-59-42-21-12-11-20-41(39)42)54(72)61-43(51(69)65-49)22-13-14-28-57/h4-9,11-12,16-21,24-27,34-35,43-47,49,59,66H,2-3,10,13-15,22-23,28-33,57H2,1H3,(H,58,68)(H,60,67)(H,61,72)(H,62,70)(H,63,71)(H,64,73)(H,65,69)/t35-,43+,44+,45+,46+,47-,49+/m1/s1
PubChem CID57339672
ChEMBLN/A
IUPHARN/A
BindingDB82466
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki23.98 nMPMID7870182BindingDB
Ki24.0 nMPMID8100350BindingDB

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