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

NameBDBM82462
Molecular formulaC54H68N12O12S2
IUPAC name(7S,10R,13S,16S)-13-(4-aminobutyl)-3-N-(1-amino-4-hydroxy-3-methyl-1-oxobutan-2-yl)-19-N-[(2S)-1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl]-7-[(4-hydroxyphenyl)methyl]-16-(1-hydroxypropan-2-yl)-10-(1H-indol-3-ylmethyl)-5,8,11,14,17-pentaoxo-1,2-dithia-4,6,9,12,15,18-hexazacyclononadecane-3,19-dicarboxamide
Molecular weight1141.33
Hydrogen bond acceptor15
Hydrogen bond donor15
XlogP1.5
SynonymsBIM 23059
D-Nal-c[Cys-Tyr-D-Trp-Lys-Thr-Cys]-Thr-NH2
Inchi KeyRDICEKIOKMLMQV-OOMHNQPKSA-N
Inchi IDInChI=1S/C54H68N12O12S2/c1-28(26-67)42(45(57)71)63-51(77)53-66-54(78)62-40(22-30-15-18-35(69)19-16-30)47(73)61-41(24-34-25-58-37-12-6-5-11-36(34)37)48(74)59-38(13-7-8-20-55)46(72)64-43(29(2)27-68)49(75)65-52(79-80-53)50(76)60-39(44(56)70)23-31-14-17-32-9-3-4-10-33(32)21-31/h3-6,9-12,14-19,21,25,28-29,38-43,52-53,58,67-69H,7-8,13,20,22-24,26-27,55H2,1-2H3,(H2,56,70)(H2,57,71)(H,59,74)(H,60,76)(H,61,73)(H,63,77)(H,64,72)(H,65,75)(H2,62,66,78)/t28?,29?,38-,39-,40-,41+,42?,43-,52?,53?/m0/s1
PubChem CID57339671
ChEMBLN/A
IUPHARN/A
BindingDB82462
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
Ki0.008 nMPMID8100350BindingDB
Ki0.01 nMPMID7870182BindingDB

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