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Ligand

Namehemopressin
Molecular formulaC53H77N13O12
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-3-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
Molecular weight1088.28
Hydrogen bond acceptor15
Hydrogen bond donor14
XlogP-2.0
Synonyms568588-77-2
Hemopressin (rat)
AKOS024456765
CHEMBL510801
BDBM50242451
Inchi KeyDUTLYPZZJJBEAJ-QISMNGAHSA-N
Inchi IDInChI=1S/C53H77N13O12/c1-30(2)22-37(47(71)65-42(28-67)51(75)64-41(53(77)78)25-34-27-56-29-58-34)60-49(73)39(24-33-16-9-6-10-17-33)61-46(70)36(18-11-12-20-54)59-48(72)38(23-32-14-7-5-8-15-32)62-50(74)40(26-43(55)68)63-52(76)44(31(3)4)66-45(69)35-19-13-21-57-35/h5-10,14-17,27,29-31,35-42,44,57,67H,11-13,18-26,28,54H2,1-4H3,(H2,55,68)(H,56,58)(H,59,72)(H,60,73)(H,61,70)(H,62,74)(H,63,76)(H,64,75)(H,65,71)(H,66,69)(H,77,78)/t35-,36-,37-,38-,39-,40-,41-,42-,44-/m0/s1
PubChem CID44560117
ChEMBLCHEMBL510801
IUPHARN/A
BindingDB50242451
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: 10
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
69410Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
69412B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391
69415Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
69411Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
69419Cannabinoid receptor 1P20272Cnr1Rattus norvegicus (Rat)473
69416Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360
69417Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
69414Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
69413Type-1 angiotensin II receptorP30556AGTR1Homo sapiens (Human)359
69418Type-2 angiotensin II receptorP50052AGTR2Homo sapiens (Human)363

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