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Ligand

NameCHEMBL414029
Molecular formulaC41H69N13O9
IUPAC name(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight888.085
Hydrogen bond acceptor12
Hydrogen bond donor12
XlogP-2.7
SynonymsN/A
Inchi KeyDARTXRMMBXCPJL-YLUGYNJDSA-N
Inchi IDInChI=1S/C41H69N13O9/c1-6-23(4)32(37(60)52-30(39(62)63)20-22(2)3)53-33(56)24(5)49-35(58)29(21-25-13-15-26(55)16-14-25)51-36(59)31-12-9-19-54(31)38(61)28(11-8-18-48-41(45)46)50-34(57)27(42)10-7-17-47-40(43)44/h13-16,22-24,27-32,55H,6-12,17-21,42H2,1-5H3,(H,49,58)(H,50,57)(H,51,59)(H,52,60)(H,53,56)(H,62,63)(H4,43,44,47)(H4,45,46,48)/t23-,24-,27-,28-,29-,30-,31-,32-/m0/s1
PubChem CID44447832
ChEMBLCHEMBL414029
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.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
55279Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418

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