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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

NameCHEMBL264534
Molecular formulaC51H85N15O11
IUPAC name(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-acetamido-6-aminohexanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight1084.33
Hydrogen bond acceptor14
Hydrogen bond donor13
XlogP-2.7
SynonymsAc-Lys-Pro-Arg-Arg-Pro-Tyr-Ile-Leu-OH
BDBM50281781
Inchi KeyOYCOXIWUNFSKDJ-MNBFHEIESA-N
Inchi IDInChI=1S/C51H85N15O11/c1-6-30(4)41(46(73)63-38(49(76)77)27-29(2)3)64-43(70)37(28-32-18-20-33(68)21-19-32)62-45(72)40-17-12-26-66(40)48(75)36(15-10-24-58-51(55)56)61-42(69)34(14-9-23-57-50(53)54)60-44(71)39-16-11-25-65(39)47(74)35(59-31(5)67)13-7-8-22-52/h18-21,29-30,34-41,68H,6-17,22-28,52H2,1-5H3,(H,59,67)(H,60,71)(H,61,69)(H,62,72)(H,63,73)(H,64,70)(H,76,77)(H4,53,54,57)(H4,55,56,58)/t30-,34+,35+,36+,37+,38+,39+,40+,41+/m1/s1
PubChem CID44385061
ChEMBLCHEMBL264534
IUPHARN/A
BindingDB50281781
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
Ki0.024 nMN/ABindingDB
Ki0.024 nMBioorg. Med. Chem. Lett., (1993) 3:5:949ChEMBL

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