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Ligand

NameCHEMBL412609
Molecular formulaC50H74N12O10S2
IUPAC name(2S)-N-[(2R)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(4S,7R,10S,13R,16S)-7-(2-amino-2-oxoethyl)-13-benzyl-16-[(4-ethoxyphenyl)methyl]-20,20-diethyl-6,9,12,15,18-pentaoxo-10-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
Molecular weight1067.34
Hydrogen bond acceptor13
Hydrogen bond donor10
XlogP1.1
SynonymsN/A
Inchi KeyHAUODKFSJGOVIN-RTBRYEJBSA-N
Inchi IDInChI=1S/C50H74N12O10S2/c1-6-50(7-2)27-40(64)56-34(25-31-18-20-32(21-19-31)72-8-3)43(66)58-35(24-30-14-10-9-11-15-30)45(68)61-41(29(4)5)47(70)59-36(26-39(51)63)44(67)60-37(28-73-74-50)48(71)62-23-13-17-38(62)46(69)57-33(42(52)65)16-12-22-55-49(53)54/h9-11,14-15,18-21,29,33-38,41H,6-8,12-13,16-17,22-28H2,1-5H3,(H2,51,63)(H2,52,65)(H,56,64)(H,57,69)(H,58,66)(H,59,70)(H,60,67)(H,61,68)(H4,53,54,55)/t33-,34+,35-,36-,37-,38+,41+/m1/s1
PubChem CID44317761
ChEMBLCHEMBL412609
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
110175Vasopressin V2 receptorP32307AVPR2Sus scrofa (Pig)370

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