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GPCR

NameNeurotensin receptor type 1
SpeciesMus musculus (Mouse)
GeneNtsr1
SynonymNTS1 receptor
NTRH
NTR1
NTR
NT-R-1
[ Show all ]
DiseaseN/A for non-human GPCRs
Length424
Amino acid sequenceMHLNSSVQQGAPSEPGAQPFPHPQFGLETMLLALSLSNGSGNSSESILEPNSNLDVNTDIYSKVLVTAVYLALFVVGTVGNSVTAFTLARKKSLQSLQSTVHYHLGSLALSDLLILLLAMPVELYNFIWVHHPWAFGDAGCRGYYFLRDACTYATALNVASLSVERYLAICHPFKAKTLMSRSRTKKFISAIWLASALLAVPMLFTMGLQNRSADGQHPGGLVCTPTVDTATVKVVIQVNTFMSFLFPMLIISILNTVIANKLTVMVHQAAEQGRGVCTVGTHNSLEHSTFNMSIEPGRVQALRHGVLVLRAVVIAFVVCWLPYHVRRLMFCYISDEQWTTFLFDFYHYFYMLTNALFYVSSAINPILYNLVSANFRQVFLSTLACLCPGWRRRRKKRPTFSRKPNSMSSNHAFSTSATRETLY
UniProtO88319
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3570
IUPHAR309
DrugBankN/A

Ligand

NameCHEMBL427956
Molecular formulaC36H57N7O6
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-1-[5-amino-2-(3-aminopropyl)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3,3-dimethylbutanoyl]amino]-4-methylpentanoic acid
Molecular weight683.895
Hydrogen bond acceptor8
Hydrogen bond donor7
XlogP0.4
SynonymsBDBM50286863
(S)-2-{(S)-2-[(S)-2-({(R)-1-[5-Amino-2-(3-amino-propyl)-pentanoyl]-pyrrolidine-2-carbonyl}-amino)-3-(1H-indol-3-yl)-propionylamino]-3,3-dimethyl-butyrylamino}-4-methyl-pentanoic acid
Inchi KeyGBKKQCVVANVNHX-VZNYXHRGSA-N
Inchi IDInChI=1S/C36H57N7O6/c1-22(2)19-28(35(48)49)41-33(46)30(36(3,4)5)42-31(44)27(20-24-21-39-26-14-7-6-13-25(24)26)40-32(45)29-15-10-18-43(29)34(47)23(11-8-16-37)12-9-17-38/h6-7,13-14,21-23,27-30,39H,8-12,15-20,37-38H2,1-5H3,(H,40,45)(H,41,46)(H,42,44)(H,48,49)/t27-,28-,29+,30+/m0/s1
PubChem CID44264255
ChEMBLCHEMBL427956
IUPHARN/A
BindingDB50286863
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki17.0 nM, Bioorg. Med. Chem. Lett., (1995) 5:9:997BindingDB,ChEMBL

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