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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

NameCHEMBL21448
Molecular formulaC45H67F3N10O9
IUPAC name(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[3-[6-(diaminomethylideneamino)hexyl]-7-[5-(diaminomethylideneamino)pentoxy]-1H-indole-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid;2,2,2-trifluoroacetic acid
Molecular weight949.087
Hydrogen bond acceptor14
Hydrogen bond donor11
XlogPNone
SynonymsN/A
Inchi KeyUBEOEKAXELGWOF-UXMXCWPGSA-N
Inchi IDInChI=1S/C43H66N10O7.C2HF3O2/c1-5-27(4)35(39(56)51-33(41(58)59)24-26(2)3)53-38(55)32(25-28-17-19-29(54)20-18-28)50-40(57)37-31(14-9-6-7-10-21-48-42(44)45)30-15-13-16-34(36(30)52-37)60-23-12-8-11-22-49-43(46)47;3-2(4,5)1(6)7/h13,15-20,26-27,32-33,35,52,54H,5-12,14,21-25H2,1-4H3,(H,50,57)(H,51,56)(H,53,55)(H,58,59)(H4,44,45,48)(H4,46,47,49);(H,6,7)/t27-,32-,33-,35-;/m0./s1
PubChem CID44274347
ChEMBLCHEMBL21448
IUPHARN/A
BindingDBN/A
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.
Partition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
Kd300.0 nMBioorg. Med. Chem. Lett., (1994) 4:10:1241ChEMBL

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