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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

NameCHEMBL427604
Molecular formulaC40H67N9O6
IUPAC name(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2R)-1-[(2S)-6-amino-2-[[(2S)-2,6-diaminohexyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight770.033
Hydrogen bond acceptor10
Hydrogen bond donor9
XlogP0.2
SynonymsBDBM50286859
2-{2-[(S)-2-({1-[(S)-6-Amino-2-((S)-(S)-2,6-diamino-hexylamino)-hexanoyl]-pyrrolidine-2-carbonyl}-amino)-3-(1H-indol-3-yl)-1-(S)-oxo-propylamino]-3-methyl-pentanoylamino}-4-methyl-pentanoic acid
Inchi KeyIXQSLTQEPOPVAT-KGAIBMCASA-N
Inchi IDInChI=1S/C40H67N9O6/c1-5-26(4)35(38(52)47-33(40(54)55)21-25(2)3)48-36(50)32(22-27-23-44-30-15-7-6-14-29(27)30)46-37(51)34-17-12-20-49(34)39(53)31(16-9-11-19-42)45-24-28(43)13-8-10-18-41/h6-7,14-15,23,25-26,28,31-35,44-45H,5,8-13,16-22,24,41-43H2,1-4H3,(H,46,51)(H,47,52)(H,48,50)(H,54,55)/t26-,28-,31-,32-,33-,34+,35-/m0/s1
PubChem CID44264096
ChEMBLCHEMBL427604
IUPHARN/A
BindingDB50286859
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
Ki0.06 nMN/ABindingDB
Ki0.06 nMBioorg. Med. Chem. Lett., (1995) 5:9:997ChEMBL

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