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Ligand

NameCHEMBL267491
Molecular formulaC41H61N11O7
IUPAC name(2S)-2-acetamido-N-[(3S,9S,12S,15R,18S)-15-(cyclohexylmethyl)-9-[3-(diaminomethylideneamino)propyl]-12-(1H-indol-3-ylmethyl)-2,8,11,14,17-pentaoxo-1,7,10,13,16-pentazabicyclo[16.3.0]henicosan-3-yl]propanamide
Molecular weight820.009
Hydrogen bond acceptor8
Hydrogen bond donor9
XlogP1.7
SynonymsAc-Ala-[Orn-Pro-cha-Trp-Arg]
BDBM50192048
Inchi KeyDJQYSPMWBMYXMM-QAACDOCTSA-N
Inchi IDInChI=1S/C41H61N11O7/c1-24(47-25(2)53)35(54)49-31-16-9-18-44-36(55)30(15-8-19-45-41(42)43)48-38(57)33(22-27-23-46-29-14-7-6-13-28(27)29)50-37(56)32(21-26-11-4-3-5-12-26)51-39(58)34-17-10-20-52(34)40(31)59/h6-7,13-14,23-24,26,30-34,46H,3-5,8-12,15-22H2,1-2H3,(H,44,55)(H,47,53)(H,48,57)(H,49,54)(H,50,56)(H,51,58)(H4,42,43,45)/t24-,30-,31-,32+,33-,34-/m0/s1
PubChem CID44417199
ChEMBLCHEMBL267491
IUPHARN/A
BindingDB50192048
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
61746C5a anaphylatoxin chemotactic receptor 1P21730C5AR1Homo sapiens (Human)350

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