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Ligand

NameCHEMBL503059
Molecular formulaC39H66N12O8
IUPAC name(2S)-2-[[(2S,3S)-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]-methylamino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight831.033
Hydrogen bond acceptor11
Hydrogen bond donor10
XlogP-2.3
SynonymsH-Arg-Arg-Pro-Tyr-N-Me-Ile-Leu-OH
BDBM50263387
D0H7EB
Inchi KeyAGCKRBKIEACUSP-VGPFALITSA-N
Inchi IDInChI=1S/C39H66N12O8/c1-6-23(4)31(34(55)49-29(37(58)59)20-22(2)3)50(5)35(56)28(21-24-13-15-25(52)16-14-24)48-33(54)30-12-9-19-51(30)36(57)27(11-8-18-46-39(43)44)47-32(53)26(40)10-7-17-45-38(41)42/h13-16,22-23,26-31,52H,6-12,17-21,40H2,1-5H3,(H,47,53)(H,48,54)(H,49,55)(H,58,59)(H4,41,42,45)(H4,43,44,46)/t23-,26-,27-,28-,29-,30-,31-/m0/s1
PubChem CID44578944
ChEMBLCHEMBL503059
IUPHARN/A
BindingDB50263387
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
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GLASS IDNameUniProtGeneSpeciesLength
4761Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418

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