kisspeptin-15   Click here for help

GtoPdb Ligand ID: 1286

Synonyms: KP-15
Compound class: Peptide
Comment: Synthetic fragment of kisspeptin
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES NCCCCC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccccc1)CCCN=C(N)N)CC(C)C)Cc1ccccc1)CO)CC(=O)N)Cc1c[nH]c2c1cccc2)CC(=O)N)Cc1ccc(cc1)O)CC(=O)N)CC(C)C)CC(=O)O)N
Isomeric SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChI InChI=1S/C88H123N23O23/c1-46(2)33-57(77(123)100-56(24-15-31-96-88(94)95)76(122)109-66(87(133)134)37-49-19-9-6-10-20-49)99-72(117)44-98-75(121)58(35-48-17-7-5-8-18-48)102-84(130)67(45-112)110-82(128)62(40-70(92)115)106-79(125)60(38-51-43-97-55-23-12-11-21-53(51)55)104-80(126)61(39-69(91)114)105-78(124)59(36-50-26-28-52(113)29-27-50)103-81(127)63(41-71(93)116)107-85(131)68-25-16-32-111(68)86(132)65(34-47(3)4)108-83(129)64(42-73(118)119)101-74(120)54(90)22-13-14-30-89/h5-12,17-21,23,26-29,43,46-47,54,56-68,97,112-113H,13-16,22,24-25,30-42,44-45,89-90H2,1-4H3,(H2,91,114)(H2,92,115)(H2,93,116)(H,98,121)(H,99,117)(H,100,123)(H,101,120)(H,102,130)(H,103,127)(H,104,126)(H,105,124)(H,106,125)(H,107,131)(H,108,129)(H,109,122)(H,110,128)(H,118,119)(H,133,134)(H4,94,95,96)/t54-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-/m0/s1
InChI Key UPGGDOAAEKSKQI-UGPGGNGJSA-N
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
kisspeptin receptor Hs Agonist Full agonist 10.0 pKi - 1
pKi 10.0 [1]