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GPCR

NameNeurotensin receptor type 1
SpeciesRattus norvegicus (Rat)
GeneNtsr1
SynonymNTS1 receptor
NTRH
NTR1
NTR
NT-R-1
[ Show all ]
DiseaseN/A for non-human GPCRs
Length424
Amino acid sequenceMHLNSSVPQGTPGEPDAQPFSGPQSEMEATFLALSLSNGSGNTSESDTAGPNSDLDVNTDIYSKVLVTAIYLALFVVGTVGNSVTAFTLARKKSLQSLQSTVHYHLGSLALSDLLILLLAMPVELYNFIWVHHPWAFGDAGCRGYYFLRDACTYATALNVASLSVERYLAICHPFKAKTLMSRSRTKKFISAIWLASALLAIPMLFTMGLQNRSGDGTHPGGLVCTPIVDTATVKVVIQVNTFMSFLFPMLVISILNTVIANKLTVMVHQAAEQGRVCTVGTHNGLEHSTFNMTIEPGRVQALRHGVLVLRAVVIAFVVCWLPYHVRRLMFCYISDEQWTTFLFDFYHYFYMLTNALFYVSSAINPILYNLVSANFRQVFLSTLACLCPGWRHRRKKRPTFSRKPNSMSSNHAFSTSATRETLY
UniProtP20789
Protein Data Bank3zev, 4buo, 4bv0, 4bwb, 5t04
GPCR-HGmod modelN/A
3D structure modelThis structure is from PDB ID 3zev.
BioLiPBL0365097, BL0267346,BL0267350, BL0267315,BL0267316, BL0267314,BL0267317, BL0267354,BL0267355, BL0267356,BL0267357, BL0365096, BL0267347,BL0267348,BL0267349,
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3027
IUPHAR309
DrugBankN/A

Ligand

NameCHEMBL21521
Molecular formulaC41H62N6O7
IUPAC name(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[3-(6-aminohexyl)-7-(5-aminopentoxy)-1H-indole-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight750.982
Hydrogen bond acceptor9
Hydrogen bond donor8
XlogP4.0
Synonyms(S)-2-{(2S,3S)-2-[(S)-2-{[3-(6-Amino-hexyl)-7-(5-amino-pentyloxy)-1H-indole-2-carbonyl]-amino}-3-(4-hydroxy-phenyl)-propionylamino]-3-methyl-pentanoylamino}-4-methyl-pentanoic acid with di TFA
CHEMBL1178334
BDBM50282578
N-[[3-(6-Aminohexyl)-7-[(5-aminopentyl)oxy]-1H-indol-2-yl]carbonyl]-L-Tyr-L-Ile-L-Leu-OH
Inchi KeyBWZSOXIHPXAIOQ-FCYJCMBSSA-N
Inchi IDInChI=1S/C41H62N6O7/c1-5-27(4)35(39(50)45-33(41(52)53)24-26(2)3)47-38(49)32(25-28-17-19-29(48)20-18-28)44-40(51)37-31(14-9-6-7-10-21-42)30-15-13-16-34(36(30)46-37)54-23-12-8-11-22-43/h13,15-20,26-27,32-33,35,46,48H,5-12,14,21-25,42-43H2,1-4H3,(H,44,51)(H,45,50)(H,47,49)(H,52,53)/t27-,32-,33-,35-/m0/s1
PubChem CID10033913
ChEMBLN/A
IUPHARN/A
BindingDB50282578
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
Kd300.0 nMN/ABindingDB

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