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GPCR

NameUrotensin-2 receptor
SpeciesRattus norvegicus (Rat)
GeneUts2r
SynonymUT receptor
urotensin II receptor
UR-II-R
UR-2-R
UII-R1
[ Show all ]
DiseaseN/A for non-human GPCRs
Length386
Amino acid sequenceMALSLESTTSFHMLTVSGSTVTELPGDSNVSLNSSWSGPTDPSSLKDLVATGVIGAVLSAMGVVGMVGNVYTLVVMCRFLRASASMYVYVVNLALADLLYLLSIPFIIATYVTKDWHFGDVGCRVLFSLDFLTMHASIFTLTIMSSERYAAVLRPLDTVQRSKGYRKLLVLGTWLLALLLTLPMMLAIQLVRRGSKSLCLPAWGPRAHRTYLTLLFGTSIVGPGLVIGLLYVRLARAYWLSQQASFKQTRRLPNPRVLYLILGIVLLFWACFLPFWLWQLLAQYHEAMPLTPETARIVNYLTTCLTYGNSCINPFLYTLLTKNYREYLRGRQRSLGSSCHSPGSPGSFLPSRVHLQQDSGRSLSSSSQQATETLMLSPVPRNGALL
UniProtP49684
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4921
IUPHAR365
DrugBankN/A

Ligand

NameCHEMBL437430
Molecular formulaC64H85N13O18S2
IUPAC name(4S)-4-amino-5-[[(2S,3R)-1-[(2R)-2-[[(2S)-1-[[(4R,7S,10R,13S,16R,19S)-10-(4-aminobutyl)-16-benzyl-4-[[(1S)-1-carboxy-2-methylpropyl]carbamoyl]-7-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-3-carboxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
Molecular weight1388.58
Hydrogen bond acceptor22
Hydrogen bond donor17
XlogP-4.5
SynonymsBDBM50378580
human Urotensin II
Inchi KeyHFNHAPQMXICKCF-FDMLFMOBSA-N
Inchi IDInChI=1S/C64H85N13O18S2/c1-33(2)52(64(94)95)75-61(91)48-32-97-96-31-47(73-59(89)46(29-51(82)83)72-62(92)49-17-11-25-77(49)63(93)53(34(3)78)76-54(84)40(66)22-23-50(80)81)60(90)70-43(26-35-12-5-4-6-13-35)56(86)71-45(28-37-30-67-41-15-8-7-14-39(37)41)58(88)68-42(16-9-10-24-65)55(85)69-44(57(87)74-48)27-36-18-20-38(79)21-19-36/h4-8,12-15,18-21,30,33-34,40,42-49,52-53,67,78-79H,9-11,16-17,22-29,31-32,65-66H2,1-3H3,(H,68,88)(H,69,85)(H,70,90)(H,71,86)(H,72,92)(H,73,89)(H,74,87)(H,75,91)(H,76,84)(H,80,81)(H,82,83)(H,94,95)/t34-,40+,42-,43-,44+,45+,46+,47-,48+,49-,52+,53+/m1/s1
PubChem CID44290317
ChEMBLCHEMBL437430
IUPHARN/A
BindingDB50378580
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
EC500.8318 nMPMID24251366ChEMBL
EC500.832 nMPMID24251366BindingDB
EC501.0 nMPMID24251366BindingDB
EC501.0 nMPMID24251366ChEMBL
EC505.01 nMPMID19432421BindingDB
EC505.012 nMPMID19432421ChEMBL
Emax117.0 %PMID24251366ChEMBL

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