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Ligand

NameCHEMBL2372316
Molecular formulaC53H78N12O10
IUPAC name(2R)-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(10R,13S,16S,19S)-19-(2-amino-2-oxoethyl)-13-benzyl-10-[(4-ethoxyphenyl)methyl]-8,11,14,17,20-pentaoxo-16-propan-2-yl-9,12,15,18,21-pentazaspiro[5.19]pentacosane-22-carbonyl]pyrrolidine-2-carboxamide
Molecular weight1043.28
Hydrogen bond acceptor11
Hydrogen bond donor10
XlogP2.6
SynonymsBDBM50023752
1-[13-Benzyl-19-carbamoylmethyl-10-(4-ethoxy-benzyl)-16-isopropyl-8,11,14,17,20-pentaoxo-9,12,15,18,21-pentaaza-spiro[5.19]pentacosane-22-carbonyl]-pyrrolidine-2-carboxylic acid (1-carbamoyl-4-guanidino-butyl)-amide
Inchi KeyZUMPOMZMYPMDJG-KUJGFEKRSA-N
Inchi IDInChI=1S/C53H78N12O10/c1-4-75-35-21-19-34(20-22-35)29-38-46(69)62-39(28-33-14-7-5-8-15-33)48(71)64-44(32(2)3)50(73)63-40(30-42(54)66)47(70)61-37(16-11-25-53(31-43(67)59-38)23-9-6-10-24-53)51(74)65-27-13-18-41(65)49(72)60-36(45(55)68)17-12-26-58-52(56)57/h5,7-8,14-15,19-22,32,36-41,44H,4,6,9-13,16-18,23-31H2,1-3H3,(H2,54,66)(H2,55,68)(H,59,67)(H,60,72)(H,61,70)(H,62,69)(H,63,73)(H,64,71)(H4,56,57,58)/t36-,37?,38+,39-,40-,41+,44-/m0/s1
PubChem CID73350258
ChEMBLCHEMBL2372316
IUPHARN/A
BindingDB50023752
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
437787Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371
437788Vasopressin V2 receptorP32307AVPR2Sus scrofa (Pig)370

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