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Ligand

NameCHEMBL369484
Molecular formulaC41H60N12O9S2
IUPAC name(4S,7R,10S,13R,16S)-7-(2-aminoethyl)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-10-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular weight929.126
Hydrogen bond acceptor13
Hydrogen bond donor12
XlogP-1.4
SynonymsN/A
Inchi KeyCOAIDJIZMQEFKE-WUUSXOEGSA-N
Inchi IDInChI=1S/C41H60N12O9S2/c1-23(2)34-40(62)50-28(14-16-42)36(58)52-31(39(61)49-27(9-6-17-46-41(44)45)35(57)47-21-32(43)55)22-64-63-18-15-33(56)48-29(20-25-10-12-26(54)13-11-25)37(59)51-30(38(60)53-34)19-24-7-4-3-5-8-24/h3-5,7-8,10-13,23,27-31,34,54H,6,9,14-22,42H2,1-2H3,(H2,43,55)(H,47,57)(H,48,56)(H,49,61)(H,50,62)(H,51,59)(H,52,58)(H,53,60)(H4,44,45,46)/t27-,28+,29-,30+,31+,34-/m0/s1
PubChem CID44386724
ChEMBLCHEMBL369484
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
46482Vasopressin V2 receptorP32307AVPR2Sus scrofa (Pig)370

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