PP-(13-36) (human)   Click here for help

GtoPdb Ligand ID: 1550

Synonyms: human pancreatic polypeptide (13-36)
Compound class: Peptide
Comment: Fragment of pancreatic polypeptide (PP)
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES CSCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)O)Cc1ccc(cc1)O)CCCN=C(N)N)CCCN=C(N)N)C(O)C)CC(C)C)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(C(O)C)N)CCC(=O)O)CCC(=O)N)CCSC)C)CCC(=O)N)Cc1ccc(cc1)O)C)C)CC(=O)O)CC(C)C)CCCN=C(N)N)CCCN=C(N)N)Cc1ccc(cc1)O)CC(=O)N
Isomeric SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O
InChI InChI=1S/C129H205N39O37S2/c1-14-64(6)100(121(200)163-89(60-96(132)176)115(194)154-83(46-54-207-13)112(191)159-86(56-63(4)5)117(196)166-101(69(11)170)122(201)157-84(24-18-50-145-129(140)141)123(202)167-51-19-25-92(167)119(198)155-78(23-17-49-144-128(138)139)108(187)164-91(125(204)205)59-72-31-37-75(173)38-32-72)165-118(197)88(58-71-29-35-74(172)36-30-71)162-107(186)77(22-16-48-143-127(136)137)150-106(185)76(21-15-47-142-126(134)135)151-114(193)85(55-62(2)3)160-116(195)90(61-98(179)180)158-104(183)66(8)146-102(181)65(7)148-113(192)87(57-70-27-33-73(171)34-28-70)161-111(190)79(39-42-94(130)174)149-103(182)67(9)147-105(184)82(45-53-206-12)153-109(188)80(40-43-95(131)175)152-110(189)81(41-44-97(177)178)156-120(199)93-26-20-52-168(93)124(203)99(133)68(10)169/h27-38,62-69,76-93,99-101,169-173H,14-26,39-61,133H2,1-13H3,(H2,130,174)(H2,131,175)(H2,132,176)(H,146,181)(H,147,184)(H,148,192)(H,149,182)(H,150,185)(H,151,193)(H,152,189)(H,153,188)(H,154,194)(H,155,198)(H,156,199)(H,157,201)(H,158,183)(H,159,191)(H,160,195)(H,161,190)(H,162,186)(H,163,200)(H,164,187)(H,165,197)(H,166,196)(H,177,178)(H,179,180)(H,204,205)(H4,134,135,142)(H4,136,137,143)(H4,138,139,144)(H4,140,141,145)/t64-,65-,66-,67-,68+,69+,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,99-,100-,101-/m0/s1
InChI Key QEGDVJSSWALCFX-INYLDASMSA-N

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
Y4 receptor Rn Agonist Full agonist 9.0 pKi - 1
pKi 9.0 [1]