Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

GPCR

NameGastrin-releasing peptide receptor
SpeciesRattus norvegicus (Rat)
GeneGrpr
SynonymBB2
BB2 receptor
gastrin-releasing peptide receptor
GRP-preferring bombesin receptor
GRP-R
DiseaseN/A for non-human GPCRs
Length384
Amino acid sequenceMDPNNCSHLNLEVDPFLSCNNTFNQTLNPPKMDNWFHPGIIYVIPAVYGLIIVIGLIGNITLIKIFCTVKSMRNVPNLFISSLALGDLLLLVTCAPVDASKYLADRWLFGRIGCKLIPFIQLTSVGVSVFTLTALSADRYKAIVRPMDIQASHALMKICLKAALIWIVSMLLAIPEAVFSDLHPFHVKDTNQTFISCAPYPHSNELHPKIHSMASFLVFYIIPLSIISVYYYFIARNLIQSAYNLPVEGNIHVKKQIESRKRLAKTVLVFVGLFAFCWLPNHVIYLYRSYHYSEVDTSMLHFITSICARLLAFTNSCVNPFALYLLSKSFRKQFNTQLLCCQPSLLNRSHSTGRSTTCMTSFKSTNPSATFSLINGNICHEGYV
UniProtP52500
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4280
IUPHAR39
DrugBankN/A

Ligand

NameCHEMBL385761
Molecular formulaC52H70N14O9
IUPAC name(2S)-N-[2-[[(2S)-1-[[(2S)-1-acetamido-4-methylpentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanamide
Molecular weight1035.22
Hydrogen bond acceptor11
Hydrogen bond donor12
XlogP2.2
SynonymsN/A
Inchi KeyUEWFJIVZXYBRKX-PIVAMLDBSA-N
Inchi IDInChI=1S/C52H70N14O9/c1-29(2)17-38(25-55-32(6)67)62-49(72)43(20-36-23-53-27-58-36)63-45(69)26-57-52(75)46(30(3)4)66-47(70)31(5)60-48(71)42(19-35-22-56-40-16-12-11-15-39(35)40)64-51(74)44(21-37-24-54-28-59-37)65-50(73)41(61-33(7)68)18-34-13-9-8-10-14-34/h8-16,22-24,27-31,38,41-44,46,56H,17-21,25-26H2,1-7H3,(H,53,58)(H,54,59)(H,55,67)(H,57,75)(H,60,71)(H,61,68)(H,62,72)(H,63,69)(H,64,74)(H,65,73)(H,66,70)/t31-,38-,41+,42-,43-,44-,46-/m0/s1
PubChem CID44361852
ChEMBLCHEMBL385761
IUPHARN/A
BindingDBN/A
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
Release2.9 %PMID1469698ChEMBL
Release3.6 %PMID1469698ChEMBL
Release3.7 %PMID1469698ChEMBL
Release16.7 %PMID1469698ChEMBL
Release20.2 %PMID1469698ChEMBL

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