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Ligand

NameCHEMBL8454
Molecular formulaC32H52N6O7
IUPAC name(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight632.803
Hydrogen bond acceptor9
Hydrogen bond donor7
XlogP-1.8
Synonyms(S)-2-{(2S,3S)-2-[(S)-2-{[(S)-1-((S)-2,6-Diamino-hexanoyl)-pyrrolidine-2-carbonyl]-amino}-3-(4-hydroxy-phenyl)-propionylamino]-3-methyl-pentanoylamino}-4-methyl-pentanoic acid
BDBM50281807
(S)-2-{(2S,4S)-2-[(S)-2-{[1-((2S,3S)-2,6-Diamino-hexanoyl)-pyrrolidine-2-carbonyl]-amino}-3-(4-hydroxy-phenyl)-propionylamino]-3-methyl-pentanoylamino}-4-methyl-pentanoic acid
Inchi KeyAZPIPGJWKAFFJL-BCAOEVRMSA-N
Inchi IDInChI=1S/C32H52N6O7/c1-5-20(4)27(30(42)36-25(32(44)45)17-19(2)3)37-28(40)24(18-21-11-13-22(39)14-12-21)35-29(41)26-10-8-16-38(26)31(43)23(34)9-6-7-15-33/h11-14,19-20,23-27,39H,5-10,15-18,33-34H2,1-4H3,(H,35,41)(H,36,42)(H,37,40)(H,44,45)/t20-,23-,24-,25-,26-,27-/m0/s1
PubChem CID44265529
ChEMBLCHEMBL8454
IUPHARN/A
BindingDB50281807
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.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
18392Neurotensin receptor type 1P20789Ntsr1Rattus norvegicus (Rat)424

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