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Ligand

NameCHEMBL263778
Molecular formulaC48H69N15O10
IUPAC name(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-acetamido-4-methylpentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]pentanediamide
Molecular weight1016.17
Hydrogen bond acceptor12
Hydrogen bond donor13
XlogP-0.5
SynonymsN/A
Inchi KeyYDLFAMOJBPMSHU-AALPTVDNSA-N
Inchi IDInChI=1S/C48H69N15O10/c1-25(2)14-33(21-52-28(6)64)59-46(71)38(16-31-19-50-23-55-31)60-41(67)22-54-48(73)42(26(3)4)63-43(68)27(5)57-45(70)37(15-30-18-53-35-11-9-8-10-34(30)35)61-47(72)39(17-32-20-51-24-56-32)62-44(69)36(58-29(7)65)12-13-40(49)66/h8-11,18-20,23-27,33,36-39,42,53H,12-17,21-22H2,1-7H3,(H2,49,66)(H,50,55)(H,51,56)(H,52,64)(H,54,73)(H,57,70)(H,58,65)(H,59,71)(H,60,67)(H,61,72)(H,62,69)(H,63,68)/t27-,33-,36-,37-,38-,39-,42-/m0/s1
PubChem CID44361728
ChEMBLCHEMBL263778
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
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GLASS IDNameUniProtGeneSpeciesLength
407393Gastrin-releasing peptide receptorP52500GrprRattus norvegicus (Rat)384

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