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Ligand

NameCHEMBL265591
Molecular formulaC51H75N11O9S2
IUPAC name1-[(11S,14R,17S,20R,23R)-14-(2-amino-2-oxoethyl)-20-benzyl-23-[(4-ethoxyphenyl)methyl]-13,16,19,22,25-pentaoxo-17-propan-2-yl-7,9-dithia-12,15,18,21,24-pentazaspiro[5.20]hexacosane-11-carbonyl]-N-[4-(diaminomethylideneamino)butyl]pyrrolidine-2-carboxamide
Molecular weight1050.35
Hydrogen bond acceptor12
Hydrogen bond donor9
XlogP2.8
SynonymsBDBM50016756
c(Pmp-D-Tyr(Et)-Phe-Val-Asn-Cys)-Pro-NH-(CH2)4-NH-C(=NH)NH2
Inchi KeyMJXWEQYJQUNXJN-KKTZDRMYSA-N
Inchi IDInChI=1S/C51H75N11O9S2/c1-4-71-35-19-17-34(18-20-35)27-36-44(65)58-37(26-33-14-7-5-8-15-33)46(67)61-43(32(2)3)48(69)59-38(28-41(52)63)45(66)60-39(30-72-31-73-51(29-42(64)57-36)21-9-6-10-22-51)49(70)62-25-13-16-40(62)47(68)55-23-11-12-24-56-50(53)54/h5,7-8,14-15,17-20,32,36-40,43H,4,6,9-13,16,21-31H2,1-3H3,(H2,52,63)(H,55,68)(H,57,64)(H,58,65)(H,59,69)(H,60,66)(H,61,67)(H4,53,54,56)/t36-,37-,38-,39-,40?,43+/m1/s1
PubChem CID44351441
ChEMBLCHEMBL265591
IUPHARN/A
BindingDB50016756
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
207289Vasopressin V2 receptorQ00788Avpr2Rattus norvegicus (Rat)371
207290Vasopressin V2 receptorP32307AVPR2Sus scrofa (Pig)370
207291Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371

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