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Ligand

NameCHEMBL1766945
Molecular formulaC39H66N10O8
IUPAC name(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-1-[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-[2-(4-hydroxyphenyl)ethyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight803.019
Hydrogen bond acceptor11
Hydrogen bond donor9
XlogP-1.4
SynonymsBDBM50342245
(S)-2-((2S,3S)-2-(2-((S)-1-((S)-2-((S)-2,6-diaminohexanamido)-5-guanidinopentanoyl)-N-(4-hydroxyphenethyl)pyrrolidine-2-carboxamido)acetamido)-3-methylpentanamido)-4-methylpentanoic acid
Inchi KeyDKDNXCFLZGKEDL-KECVWQCXSA-N
Inchi IDInChI=1S/C39H66N10O8/c1-5-25(4)33(35(53)46-30(38(56)57)22-24(2)3)47-32(51)23-48(21-17-26-13-15-27(50)16-14-26)37(55)31-12-9-20-49(31)36(54)29(11-8-19-44-39(42)43)45-34(52)28(41)10-6-7-18-40/h13-16,24-25,28-31,33,50H,5-12,17-23,40-41H2,1-4H3,(H,45,52)(H,46,53)(H,47,51)(H,56,57)(H4,42,43,44)/t25-,28-,29-,30-,31-,33-/m0/s1
PubChem CID52951477
ChEMBLCHEMBL1766945
IUPHARN/A
BindingDB50342245
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.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
62113Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418
62112Neurotensin receptor type 2O95665NTSR2Homo sapiens (Human)410

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