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Ligand

NameCHEMBL2371441
Molecular formulaC46H65N13O10
IUPAC name(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2S,5S,8S,11S,14S)-11-(2-amino-2-oxoethyl)-2,5-dibenzyl-3,6,9,12,18-pentaoxo-8-propan-2-yl-1,4,7,10,13-pentazacyclooctadecane-14-carbonyl]pyrrolidine-2-carboxamide
Molecular weight960.107
Hydrogen bond acceptor11
Hydrogen bond donor11
XlogP-1.5
SynonymsBDBM50020700
1-(2,5-Dibenzyl-11-carbamoylmethyl-8-isopropyl-3,6,9,12,18-pentaoxo-1,4,7,10,13pentaaza-cyclooctadecane-14-carbonyl)-pyrrolidine-2-carboxylic acid [1-(carbamoylmethyl-carbamoyl)-4-guanidino-butyl]-amide
Inchi KeyUSZGVGQIVCXWJD-CDKUOFBKSA-N
Inchi IDInChI=1S/C46H65N13O10/c1-26(2)38-44(68)57-33(24-35(47)60)41(65)55-30(45(69)59-21-11-18-34(59)43(67)54-29(17-10-20-51-46(49)50)39(63)52-25-36(48)61)16-9-19-37(62)53-31(22-27-12-5-3-6-13-27)40(64)56-32(42(66)58-38)23-28-14-7-4-8-15-28/h3-8,12-15,26,29-34,38H,9-11,16-25H2,1-2H3,(H2,47,60)(H2,48,61)(H,52,63)(H,53,62)(H,54,67)(H,55,65)(H,56,64)(H,57,68)(H,58,66)(H4,49,50,51)/t29-,30-,31-,32-,33-,34-,38-/m0/s1
PubChem CID73345562
ChEMBLCHEMBL2371441
IUPHARN/A
BindingDB50020700
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
344826Vasopressin V2 receptorP32307AVPR2Sus scrofa (Pig)370

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