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Ligand

NameCHEMBL386695
Molecular formulaC46H66N12O11S2
IUPAC name(2R)-N-[(2S)-6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]-1-[(4R,7S,10R,13S,16R,19S)-19-amino-7-(2-amino-2-oxoethyl)-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-carbonyl]pyrrolidine-2-carboxamide
Molecular weight1027.23
Hydrogen bond acceptor15
Hydrogen bond donor12
XlogP-1.7
SynonymsN/A
Inchi KeyUYMFOPPCHJHUSQ-WKNHZNMTSA-N
Inchi IDInChI=1S/C46H66N12O11S2/c1-25(2)38-45(68)55-33(21-36(49)60)42(65)56-34(46(69)58-18-8-12-35(58)44(67)52-30(11-6-7-17-47)40(63)51-22-37(50)61)24-71-70-23-29(48)39(62)53-31(20-27-13-15-28(59)16-14-27)41(64)54-32(43(66)57-38)19-26-9-4-3-5-10-26/h3-5,9-10,13-16,25,29-35,38,59H,6-8,11-12,17-24,47-48H2,1-2H3,(H2,49,60)(H2,50,61)(H,51,63)(H,52,67)(H,53,62)(H,54,64)(H,55,68)(H,56,65)(H,57,66)/t29-,30+,31-,32+,33+,34+,35-,38-/m1/s1
PubChem CID44385827
ChEMBLCHEMBL386695
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
348785Vasopressin V2 receptorP32307AVPR2Sus scrofa (Pig)370

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