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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

NameCHEMBL509009
Molecular formulaC57H70N10O10S2
IUPAC name(2S)-2-[[(4R,7S,10S,13R,16S,19S)-10-(3-aminopropyl)-16-benzyl-7-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-20,20-dimethyl-6,9,12,15,18-pentaoxo-19-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-methylbutanoic acid
Molecular weight1119.37
Hydrogen bond acceptor14
Hydrogen bond donor12
XlogP2.2
SynonymsBDBM50413774
Inchi KeyIBBGPQQEXWOPBF-QPBVPUHFSA-N
Inchi IDInChI=1S/C57H70N10O10S2/c1-32(2)47(56(76)77)66-54(74)46-31-78-79-57(3,4)48(67-50(70)42-27-35-15-8-9-16-36(35)29-60-42)55(75)64-44(25-33-13-6-5-7-14-33)51(71)63-45(28-37-30-59-40-18-11-10-17-39(37)40)53(73)61-41(19-12-24-58)49(69)62-43(52(72)65-46)26-34-20-22-38(68)23-21-34/h5-11,13-18,20-23,30,32,41-48,59-60,68H,12,19,24-29,31,58H2,1-4H3,(H,61,73)(H,62,69)(H,63,71)(H,64,75)(H,65,72)(H,66,74)(H,67,70)(H,76,77)/t41-,42-,43-,44-,45+,46-,47-,48-/m0/s1
PubChem CID44574157
ChEMBLCHEMBL509009
IUPHARN/A
BindingDB50413774
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
pKb8.94 -PMID19432421ChEMBL

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