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 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 2
SpeciesMus musculus (Mouse)
GeneSstr2
Synonymsomatotropin release-inhibiting factor receptor
SRIF-1
SS-2-R
SS2-R
SS2R
[ Show all ]
DiseaseN/A for non-human GPCRs
Length369
Amino acid sequenceMEMSSEQLNGSQVWVSSPFDLNGSLGPSNGSNQTEPYYDMTSNAVLTFIYFVVCVVGLCGNTLVIYVILRYAKMKTITNIYILNLAIADELFMLGLPFLAMQVALVHWPFGKAICRVVMTVDGINQFTSIFCLTVMSIDRYLAVVHPIKSAKWRRPRTAKMINVAVWCVSLLVILPIMIYAGLRSNQWGRSSCTINWPGESGAWYTGFIIYAFILGFLVPLTIICLCYLFIIIKVKSSGIRVGSSKRKKSEKKVTRMVSIVVAVFIFCWLPFYIFNVSSVSVAISPTPALKGMFDFVVILTYANSCANPILYAFLSDNFKKSFQNVLCLVKVSGTEDGERSDSKQDKSRLNETTETQRTLLNGDLQTSI
UniProtP30875
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3207
IUPHAR356
DrugBankN/A

Ligand

NameBDBM82461
Molecular formulaC59H73N11O9
IUPAC name(2S)-6-amino-N-[(2S)-1-[[(2S)-1-[[(2R)-1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide
Molecular weight1080.3
Hydrogen bond acceptor11
Hydrogen bond donor12
XlogP5.0
SynonymsBIM 23073
D-Phe-AIa-Tyr-D-Trp-Lys-Val-Ala-D-Nal-NH2
Inchi KeyUBUDXEAGRDGVRC-YFJLRMNNSA-N
Inchi IDInChI=1S/C59H73N11O9/c1-34(2)51(59(79)65-36(4)53(73)67-48(52(62)72)31-39-21-24-40-16-8-9-17-41(40)28-39)70-56(76)47(20-12-13-27-60)66-58(78)50(32-42-33-63-46-19-11-10-18-44(42)46)69-57(77)49(30-38-22-25-43(71)26-23-38)68-54(74)35(3)64-55(75)45(61)29-37-14-6-5-7-15-37/h5-11,14-19,21-26,28,33-36,45,47-51,63,71H,12-13,20,27,29-32,60-61H2,1-4H3,(H2,62,72)(H,64,75)(H,65,79)(H,66,78)(H,67,73)(H,68,74)(H,69,77)(H,70,76)/t35-,36-,45+,47-,48+,49-,50+,51-/m0/s1
PubChem CID10124376
ChEMBLN/A
IUPHARN/A
BindingDB82461
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki60.0 nMPMID8100350BindingDB
Ki60.25 nMPMID7870182BindingDB

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417