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

NameNeuropeptide Y receptor type 1
SpeciesRattus norvegicus (Rat)
GeneNpy1r
SynonymY1 receptor
neuropeptide Y receptor type 1
NPY-Y1 receptor
FC5
NPY1-R
[ Show all ]
DiseaseN/A for non-human GPCRs
Length382
Amino acid sequenceMNSTLFSRVENYSVHYNVSENSPFLAFENDDCHLPLAVIFTLALAYGAVIILGVSGNLALIIIILKQKEMRNVTNILIVNLSFSDLLVAVMCLPFTFVYTLMDHWVFGETMCKLNPFVQCVSITVSIFSLVLIAVERHQLIINPRGWRPNNRHAYIGITVIWVLAVASSLPFVIYQILTDEPFQNVSLAAFKDKYVCFDKFPSDSHRLSYTTLLLVLQYFGPLCFIFICYFKIYIRLKRRNNMMDKIRDSKYRSSETKRINVMLLSIVVAFAVCWLPLTIFNTVFDWNHQIIATCNHNLLFLLCHLTAMISTCVNPIFYGFLNKNFQRDLQFFFNFCDFRSRDDDYETIAMSTMHTDVSKTSLKQASPVAFKKISMNDNEKI
UniProtP21555
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2587
IUPHAR305
DrugBankN/A

Ligand

Name[125I]GW1229
Molecular formulaC110H170N34O24
IUPAC name(3R,9R,12S,18S,24S,27S)-3,18-bis[[(2S,3S)-2-amino-1-hydroxy-3-methylpentylidene]amino]-9-N,24-N-bis[(2S)-1-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-5-carbamimidamido-1-hydroxy-1-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-iminopropan-2-yl]iminopentan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]imino-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-6,11,21,26-tetrahydroxy-2,17-dioxo-1,7,10,16,22,25-hexazatricyclo[25.3.0.012,16]triaconta-6,10,21,25-tetraene-9,24-dicarboximidic acid
Molecular weight2352.78
Hydrogen bond acceptor48
Hydrogen bond donor38
XlogP6.8
Synonyms[125I]GR231118
[125I]1229U91
D0H8KI
GTPL1531
Inchi KeyRJRBRCCJETZJLT-VHUVHYDGSA-N
Inchi IDInChI=1S/C110H170N34O24/c1-9-59(7)87(111)103(165)133-73-39-41-85(149)127-55-81(99(161)139-79(53-63-27-35-67(147)36-28-63)97(159)131-71(19-13-45-125-109(119)120)93(155)137-77(49-57(3)4)95(157)129-69(17-11-43-123-107(115)116)91(153)135-75(89(113)151)51-61-23-31-65(145)32-24-61)142-102(164)84-22-16-48-144(84)106(168)74(134-104(166)88(112)60(8)10-2)40-42-86(150)128-56-82(141-101(163)83-21-15-47-143(83)105(73)167)100(162)140-80(54-64-29-37-68(148)38-30-64)98(160)132-72(20-14-46-126-110(121)122)94(156)138-78(50-58(5)6)96(158)130-70(18-12-44-124-108(117)118)92(154)136-76(90(114)152)52-62-25-33-66(146)34-26-62/h23-38,57-60,69-84,87-88,145-148H,9-22,39-56,111-112H2,1-8H3,(H2,113,151)(H2,114,152)(H,127,149)(H,128,150)(H,129,157)(H,130,158)(H,131,159)(H,132,160)(H,133,165)(H,134,166)(H,135,153)(H,136,154)(H,137,155)(H,138,156)(H,139,161)(H,140,162)(H,141,163)(H,142,164)(H4,115,116,123)(H4,117,118,124)(H4,119,120,125)(H4,121,122,126)/t59-,60-,69-,70-,71-,72-,73-,74+,75-,76-,77-,78-,79-,80-,81-,82+,83-,84-,87-,88-/m0/s1
PubChem CID56947140
ChEMBLN/A
IUPHAR1531
BindingDB50099204
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.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Kd0.1 nMPMID10694200IUPHAR
Ki12.58 nMPMID8531090BindingDB

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