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Ligand

NameCHEMBL508130
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]amino]-3-methylpentanoyl]-methylamino]-4-methylpentanoic acid
Molecular weight831.033
Hydrogen bond acceptor11
Hydrogen bond donor10
XlogP-2.3
SynonymsBDBM50263385
D0OT9G
H-Arg-Arg-Pro-Tyr-Ile-N-Me-Leu-OH
Inchi KeyDUYQEARXOLBXOJ-VGPFALITSA-N
Inchi IDInChI=1S/C39H66N12O8/c1-6-23(4)31(36(57)50(5)30(37(58)59)20-22(2)3)49-33(54)28(21-24-13-15-25(52)16-14-24)48-34(55)29-12-9-19-51(29)35(56)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,48,55)(H,49,54)(H,58,59)(H4,41,42,45)(H4,43,44,46)/t23-,26-,27-,28-,29-,30-,31-/m0/s1
PubChem CID44578943
ChEMBLCHEMBL508130
IUPHARN/A
BindingDB50263385
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
69589Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418

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