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

NameFollicle-stimulating hormone receptor
SpeciesRattus norvegicus (Rat)
GeneFshr
SynonymFollitropin receptor
FSH receptor
FSH-R
LGR1
DiseaseN/A for non-human GPCRs
Length692
Amino acid sequenceMALLLVSLLAFLGTGSGCHHWLCHCSNRVFLCQDSKVTEIPTDLPRNAIELRFVLTKLRVIPKGSFAGFGDLEKIEISQNDVLEVIEADVFSNLPKLHEIRIEKANNLLYINPEAFQNLPSLRYLLISNTGIKHLPAVHKIQSLQKVLLDIQDNINIHIVARNSFMGLSFESVILWLSKNGIEEIHNCAFNGTQLDELNLSDNNNLEELPNDVFQGASGPVILDISRTKVHSLPNHGLENLKKLRARSTYRLKKLPNLDKFVTLMEASLTYPSHCCAFANLKRQISELHPICNKSILRQDIDDMTQIGDQRVSLIDDEPSYGKGSDMMYNEFDYDLCNEVVDVTCSPKPDAFNPCEDIMGYNILRVLIWFISILAITGNTTVLVVLTTSQYKLTVPRFLMCNLAFADLCIGIYLLLIASVDIHTKSQYHNYAIDWQTGAGCDAAGFFTVFASELSVYTLTAITLERWHTITHAMQLECKVQLRHAASVMVLGWTFAFAAALFPIFGISSYMKVSICLPMDIDSPLSQLYVMALLVLNVLAFVVICGCYTHIYLTVRNPTIVSSSSDTKIAKRMATLIFTDFLCMAPISFFAISASLKVPLITVSKAKILLVLFYPINSCANPFLYAIFTKNFRRDFFILLSKFGCYEMQAQIYRTETSSATHNFHARKSHCSSAPRVTNSYVLVPLNHSSQN
UniProtP20395
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4288
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL2369794
Molecular formulaC48H72N12O9
IUPAC name(2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-ethylpyrrolidine-2-carboxamide
Molecular weight961.179
Hydrogen bond acceptor11
Hydrogen bond donor12
XlogP1.2
SynonymsBDBM50452577
Inchi KeyBPVTUPWEZOOCOP-BJIMPWBNSA-N
Inchi IDInChI=1S/C48H72N12O9/c1-6-52-46(68)40-14-10-20-60(40)47(69)35(13-9-19-53-48(50)51)55-42(64)36(21-27(2)3)56-43(65)37(22-28(4)5)57-44(66)38(23-29-15-17-31(62)18-16-29)58-45(67)39(26-61)59-41(63)33(49)24-30-25-54-34-12-8-7-11-32(30)34/h7-8,11-12,15-18,25,27-28,33,35-40,54,61-62H,6,9-10,13-14,19-24,26,49H2,1-5H3,(H,52,68)(H,55,64)(H,56,65)(H,57,66)(H,58,67)(H,59,63)(H4,50,51,53)/t33-,35-,36-,37+,38-,39-,40-/m0/s1
PubChem CID14557576
ChEMBLCHEMBL2369794
IUPHARN/A
BindingDB50452577
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
Kd870.96 nMPMID2552116ChEMBL
Kd871.0 nMPMID2552116BindingDB

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