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Ligand

NameCHEMBL3277915
Molecular formulaC41H63N11O12S2
IUPAC name(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-N-[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular weight966.14
Hydrogen bond acceptor14
Hydrogen bond donor12
XlogP-2.1
SynonymsN/A
Inchi KeyARCZVSMLYIDZTO-ZDWBZYQISA-N
Inchi IDInChI=1S/C41H63N11O12S2/c1-6-21(4)34-41(64)48-25(11-12-30(42)54)37(60)50-28(17-31(43)55)38(61)51-29(40(63)46-22(5)35(58)49-26(15-20(2)3)36(59)45-18-32(44)56)19-66-65-14-13-33(57)47-27(39(62)52-34)16-23-7-9-24(53)10-8-23/h7-10,20-22,25-29,34,53H,6,11-19H2,1-5H3,(H2,42,54)(H2,43,55)(H2,44,56)(H,45,59)(H,46,63)(H,47,57)(H,48,64)(H,49,58)(H,50,60)(H,51,61)(H,52,62)/t21-,22-,25-,26-,27-,28-,29-,34-/m0/s1
PubChem CID90680084
ChEMBLCHEMBL3277915
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
12334Oxytocin receptorP70536OxtrRattus norvegicus (Rat)388

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