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

NameMelanin-concentrating hormone receptor 2
SpeciesHomo sapiens (Human)
GeneMCHR2
SynonymG-protein coupled receptor 145
melanin-concentrating hormone receptor 2
MCHR-2
MCH2R
MCH2 receptor
[ Show all ]
DiseaseN/A
Length340
Amino acid sequenceMNPFHASCWNTSAELLNKSWNKEFAYQTASVVDTVILPSMIGIICSTGLVGNILIVFTIIRSRKKTVPDIYICNLAVADLVHIVGMPFLIHQWARGGEWVFGGPLCTIITSLDTCNQFACSAIMTVMSVDRYFALVQPFRLTRWRTRYKTIRINLGLWAASFILALPVWVYSKVIKFKDGVESCAFDLTSPDDVLWYTLYLTITTFFFPLPLILVCYILILCYTWEMYQQNKDARCCNPSVPKQRVMKLTKMVLVLVVVFILSAAPYHVIQLVNLQMEQPTLAFYVGYYLSICLSYASSSINPFLYILLSGNFQKRLPQIQRRATEKEINNMGNTLKSHF
UniProtQ969V1
Protein Data BankN/A
GPCR-HGmod modelQ969V1
3D structure modelThis predicted structure model is from GPCR-EXP Q969V1.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5038
IUPHAR281
DrugBankN/A

Ligand

NameGva6,Ava9,10
Molecular formulaC53H89N19O11S3
IUPAC name24-[5-(diaminomethylideneamino)pentanoylamino]-3,12-bis[3-(diaminomethylideneamino)propyl]-6-[(4-hydroxyphenyl)methyl]-21-(2-methylsulfanylethyl)-2,5,8,11,14,20,23,31-octaoxo-9-propan-2-yl-26,27-dithia-1,4,7,10,13,19,22,30-octazabicyclo[30.3.0]pentatriacontane-29-carboxamide
Molecular weight1264.6
Hydrogen bond acceptor17
Hydrogen bond donor16
XlogP-3.4
SynonymsBDBM85948
Inchi KeyIQVRKZINMYFHQU-UHFFFAOYSA-N
Inchi IDInChI=1S/C53H89N19O11S3/c1-30(2)42-49(82)69-36(27-31-16-18-32(73)19-17-31)46(79)68-35(12-9-24-64-53(59)60)50(83)72-25-10-13-39(72)48(81)70-37(43(54)76)28-85-86-29-38(66-41(75)15-5-7-22-62-51(55)56)47(80)67-34(20-26-84-3)44(77)61-21-6-4-14-40(74)65-33(45(78)71-42)11-8-23-63-52(57)58/h16-19,30,33-39,42,73H,4-15,20-29H2,1-3H3,(H2,54,76)(H,61,77)(H,65,74)(H,66,75)(H,67,80)(H,68,79)(H,69,82)(H,70,81)(H,71,78)(H4,55,56,62)(H4,57,58,63)(H4,59,60,64)
PubChem CID57340376
ChEMBLN/A
IUPHARN/A
BindingDB85948
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
Ki48.0 nMPMID12009900BindingDB

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