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Ligand

NamePhenypressin
Molecular formulaC46H65N15O11S2
IUPAC name(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13,16-dibenzyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
Molecular weight1068.24
Hydrogen bond acceptor15
Hydrogen bond donor13
XlogP-4.5
SynonymsCHEMBL1819441
BDBM50350866
30635-27-9
Inchi KeyANZXJGXSHMINOI-LGYYRGKSSA-N
Inchi IDInChI=1S/C46H65N15O11S2/c47-27-23-73-74-24-33(45(72)61-18-8-14-34(61)44(71)56-28(13-7-17-53-46(51)52)39(66)54-22-37(50)64)60-43(70)32(21-36(49)63)59-40(67)29(15-16-35(48)62)55-41(68)31(20-26-11-5-2-6-12-26)58-42(69)30(57-38(27)65)19-25-9-3-1-4-10-25/h1-6,9-12,27-34H,7-8,13-24,47H2,(H2,48,62)(H2,49,63)(H2,50,64)(H,54,66)(H,55,68)(H,56,71)(H,57,65)(H,58,69)(H,59,67)(H,60,70)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
PubChem CID56658409
ChEMBLCHEMBL1819441
IUPHARN/A
BindingDB50350866
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
10062Oxytocin receptorP30559OXTRHomo sapiens (Human)389
10059Vasopressin V1a receptorP30560Avpr1aRattus norvegicus (Rat)424
10060Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418
10058Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424
10061Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371

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