BIOPEP-UWM: Report

ID 2572
Name vasopressin
sequence
CYFQNCPRG~
Function:
Neuropeptide
 
Number of residues
9
Activity code
ne
Activity :
neuropeptide
Chemical mass 1086.2470 Monoisotopic mass 1085.4521
EC50 :
0.00 µM


Bibliographic data:
Authors
Hruby V. J., Chow M., Smith D. D.
Title
Conformational and structural considerations in oxitocin-receptor binding and biological activity. Annu. Rev. Pharmacol. Toxicol., 30, 501-534 (1990)
Year Source
1990 Journal


Additional information:
BIOPEP-UWM database of bioactive peptides


SMILES: N[C@](C(N[C@](C(N[C@](C(N[C@](C(N[C@](C(N[C@](C(N1CCC[C@]1(C(N[C@](C(NCC(N)=O)=O)(CCCNC(N)=N)[H])=O)[H])=O)(CS)[H])=O)(CC(N)=O)[H])=O)(CCC(N)=O)[H])=O)(Cc1ccccc1)[H])=O)(Cc1ccc(O)cc1)[H])=O)(CS)[H]

InChI=1S/C46H67N15O12S2/c47-27(22-74)38(66)57-30(19-25-10-12-26(62)13-11-25)42(70)58-31(18-24-6-2-1-3-7-24)41(69)55-29(14-15-35(48)63)40(68)59-32(20-36(49)64)43(71)60-33(23-75)45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65/h1-3,6-7,10-13,27-34,62,74-75H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1

InChIKey: MIFHTMACYGHZKT-LGYYRGKSSA-N



Oxidized form with disulfide bond:

SMILES: N[C@@]1(C(N[C@](C(N[C@](C(N[C@](C(N[C@](C(N[C@](C(N2CCC[C@]2(C(N[C@](C(NCC(N)=O)=O)(CCCNC(N)=N)[H])=O)[H])=O)(CSSC1)[H])=O)(CC(N)=O)[H])=O)(CCC(N)=O)[H])=O)(Cc1ccccc1)[H])=O)(Cc1ccc(O)cc1)[H])=O)[H]

InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1

InChIKey: KBZOIRJILGZLEJ-LGYYRGKSSA-N


Database reference:
ACToR: ID 113-79-1

BindingDB: ID 50397208

Brainpeps: ID 1; 177

BRENDA: Ligand L-Arg-Vasopressin

ChEBI: ID 34543

ChEMBL: ID CHEMBL373742

ChemSpider: ID 559126

DrugBank: ID DB00067

DrugCentral: ID 2810

EPA CompTox: ID DTXSID0048349

EROP-Moscow: ID E00003

J-GLOBAL: ID 200907084615453284

KEGG: ID D02983

Nikkaji: ID J1.025A

PepBank: Peptide CYFQNCPRG

PepLife: ID 2323, 2573, 2574, 2575, 2576, 2577, 2578, 2579, 2669, 2944, 2945, 2946, 2947

PeptideDB: ID PEP02812, PEP02815, PEP02821, PEP02824, PEP02827, PEP04275, PEP05663, PEP10684, PEP11325, PEP12725, PEP15567, PEP16795, PEP17556

PubChem: CID 644077

SureChEMBL: ID SCHEMBL17874853

THPdb: ID 1375