[Thr4,Gly7]OT   Click here for help

GtoPdb Ligand ID: 2179

Synonyms: [Thr4,Gly7]oxytocin
Comment: Synthetic analogue of oxytocin. N.B the amino acid sequence of oxytocin is common across human, mouse and rat
Click here for help
2D Structure
Click here for help
Click here for structure editor
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CCC(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)N)CC(C)C)CS)CC(=O)N)C(O)C)NC(=O)C(NC(=O)C(C=S)N)Cc1ccc(cc1)O)C
Isomeric SMILES CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)CS)CC(=O)N)[C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H](C=S)N)Cc1ccc(cc1)O)C
InChI InChI=1S/C39H61N11O12S2/c1-6-19(4)31(49-37(60)25(46-33(56)23(40)16-63)12-21-7-9-22(52)10-8-21)38(61)50-32(20(5)51)39(62)47-26(13-28(41)53)36(59)48-27(17-64)35(58)44-15-30(55)45-24(11-18(2)3)34(57)43-14-29(42)54/h7-10,16,18-20,23-27,31-32,51-52,64H,6,11-15,17,40H2,1-5H3,(H2,41,53)(H2,42,54)(H,43,57)(H,44,58)(H,45,55)(H,46,56)(H,47,62)(H,48,59)(H,49,60)(H,50,61)/t19-,20+,23-,24-,25-,26-,27-,31-,32-/m0/s1
InChI Key SJRRTEZQOSELMP-IKNHWLCZSA-N
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
OT receptor Hs Agonist Full agonist 8.2 – 8.4 pKi - 1-3
pKi 8.2 – 8.4 [1-3]
V1A receptor Hs Agonist Full agonist 6.5 – 6.8 pKi - 4-5
pKi 6.5 – 6.8 [4-5]