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GPCR

NameNeurotensin receptor type 1
SpeciesHomo sapiens (Human)
GeneNTSR1
SynonymNTSR1
NTS1 receptor
NTRH
NTR1
NTR
[ Show all ]
DiseaseAcute or chronic pain
Alcohol use disorders
Pain
Inflammatory bowel disease
Neurological disease
Length418
Amino acid sequenceMRLNSSAPGTPGTPAADPFQRAQAGLEEALLAPGFGNASGNASERVLAAPSSELDVNTDIYSKVLVTAVYLALFVVGTVGNTVTAFTLARKKSLQSLQSTVHYHLGSLALSDLLTLLLAMPVELYNFIWVHHPWAFGDAGCRGYYFLRDACTYATALNVASLSVERYLAICHPFKAKTLMSRSRTKKFISAIWLASALLAVPMLFTMGEQNRSADGQHAGGLVCTPTIHTATVKVVIQVNTFMSFIFPMVVISVLNTIIANKLTVMVRQAAEQGQVCTVGGEHSTFSMAIEPGRVQALRHGVRVLRAVVIAFVVCWLPYHVRRLMFCYISDEQWTPFLYDFYHYFYMVTNALFYVSSTINPILYNLVSANFRHIFLATLACLCPVWRRRRKRPAFSRKADSVSSNHTLSSNATRETLY
UniProtP30989
Protein Data BankN/A
GPCR-HGmod modelP30989
3D structure modelThis predicted structure model is from GPCR-EXP P30989.
BioLiPN/A
Therapeutic Target DatabaseT02728
ChEMBLCHEMBL4123
IUPHAR309
DrugBankN/A

Ligand

NameCHEMBL270332
Molecular formulaC76H124N16O14
IUPAC name(3S,6S,9S,12S,15S,18S,24S,27S,30S,33S,36S,39S)-3,6,24,27-tetrakis(4-aminobutyl)-12,33-bis[(2S)-butan-2-yl]-15,36-bis[(4-hydroxyphenyl)methyl]-9,30-bis(2-methylpropyl)-1,4,7,10,13,16,22,25,28,31,34,37-dodecazatricyclo[37.3.0.018,22]dotetracontane-2,5,8,11,14,17,23,26,29,32,35,38-dodecone
Molecular weight1485.93
Hydrogen bond acceptor18
Hydrogen bond donor16
XlogP4.4
SynonymsBDBM50241512
c(Lys-Lys-Pro-Tyr-Ile-Leu-Lys-Lys-Pro-Tyr-Ile-Leu)
Inchi KeyLUVWPAMEUQGOAT-CNPMHALYSA-N
Inchi IDInChI=1S/C76H124N16O14/c1-9-47(7)63-73(103)87-57(41-45(3)4)67(97)81-53(21-11-15-35-77)65(95)83-56(24-14-18-38-80)76(106)92-40-20-26-62(92)72(102)86-60(44-50-29-33-52(94)34-30-50)70(100)90-64(48(8)10-2)74(104)88-58(42-46(5)6)68(98)82-54(22-12-16-36-78)66(96)84-55(23-13-17-37-79)75(105)91-39-19-25-61(91)71(101)85-59(69(99)89-63)43-49-27-31-51(93)32-28-49/h27-34,45-48,53-64,93-94H,9-26,35-44,77-80H2,1-8H3,(H,81,97)(H,82,98)(H,83,95)(H,84,96)(H,85,101)(H,86,102)(H,87,103)(H,88,104)(H,89,99)(H,90,100)/t47-,48-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-/m0/s1
PubChem CID24824441
ChEMBLCHEMBL270332
IUPHARN/A
BindingDB50241512
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
Activity1.55 nMPMID18321036ChEMBL
Activity150.0 nMPMID18321036ChEMBL
Kd150.0 nMPMID19236044BindingDB,ChEMBL

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