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GPCR

NameUrotensin-2 receptor
SpeciesHomo sapiens (Human)
GeneUTS2R
Synonymurotensin II receptor
UT receptor
UR-II-R
UR-2-R
UII-R1
[ Show all ]
DiseaseAsthma
Diabetic nephropathy
Renal failure
Length389
Amino acid sequenceMALTPESPSSFPGLAATGSSVPEPPGGPNATLNSSWASPTEPSSLEDLVATGTIGTLLSAMGVVGVVGNAYTLVVTCRSLRAVASMYVYVVNLALADLLYLLSIPFIVATYVTKEWHFGDVGCRVLFGLDFLTMHASIFTLTVMSSERYAAVLRPLDTVQRPKGYRKLLALGTWLLALLLTLPVMLAMRLVRRGPKSLCLPAWGPRAHRAYLTLLFATSIAGPGLLIGLLYARLARAYRRSQRASFKRARRPGARALRLVLGIVLLFWACFLPFWLWQLLAQYHQAPLAPRTARIVNYLTTCLTYGNSCANPFLYTLLTRNYRDHLRGRVRGPGSGGGRGPVPSLQPRARFQRCSGRSLSSCSPQPTDSLVLAPAAPARPAPEGPRAPA
UniProtQ9UKP6
Protein Data BankN/A
GPCR-HGmod modelQ9UKP6
3D structure modelThis predicted structure model is from GPCR-EXP Q9UKP6.
BioLiPN/A
Therapeutic Target DatabaseT49072
ChEMBLCHEMBL3764
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
EC501.09 nMPMID19695883BindingDB,ChEMBL
IC5013.0 nMPMID24251366BindingDB,ChEMBL
IC5013.18 nMPMID24251366ChEMBL
Ki0.794 nMPMID19432421BindingDB
Ki0.7943 nMPMID19432421, PMID15027856, PMID16279788, PMID12238917ChEMBL
pD28.3 -PMID12238917ChEMBL

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