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Ligand

Named(CH2)5[D-Ile2,Ile4]VP
Molecular formulaC49H77N13O10S2
IUPAC name(2S)-N-[(2R)-1-[(2S)-2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]-2-[[(2R,3R)-3-methyl-2-[[(2S)-2-[[(2S,3S)-3-methyl-2-[[2-(2-sulfanylidenecyclohexyl)acetyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]pentanoyl]amino]butanediamide
Molecular weight1072.36
Hydrogen bond acceptor13
Hydrogen bond donor12
XlogP-0.3
Synonymsd(CH2)5-Ile-ile-arg-avp
Arginine vasopressin, (beta-mercapto)beta,beta-cyclopentamethylenepropionic acid(1)-ile(2,4)-
D08JNK
1-(beta-Mercapto-beta,beta-cyclopentamethylenepropionic acid)-2,4-ile-argipressin
d(CH2)5-D-Ileu(2)-ileu(4)-avp
[ Show all ]
Inchi KeyCNWFVLCMGVAHSD-HAEBMLOOSA-N
Inchi IDInChI=1S/C49H77N13O10S2/c1-5-27(3)40(60-39(65)23-30-16-10-11-19-36(30)74)46(70)57-32(22-29-14-8-7-9-15-29)44(68)61-41(28(4)6-2)47(71)58-33(24-37(50)63)43(67)59-34(26-73)48(72)62-21-13-18-35(62)45(69)56-31(17-12-20-54-49(52)53)42(66)55-25-38(51)64/h7-9,14-15,27-28,30-35,40-41,73H,5-6,10-13,16-26H2,1-4H3,(H2,50,63)(H2,51,64)(H,55,66)(H,56,69)(H,57,70)(H,58,71)(H,59,67)(H,60,65)(H,61,68)(H4,52,53,54)/t27-,28+,30?,31-,32-,33-,34-,35-,40-,41+/m0/s1
PubChem CID3080966
ChEMBLN/A
IUPHAR2236
BindingDBN/A
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
553459Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371

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