motilin-(1-13) (human)   Click here for help

GtoPdb Ligand ID: 1462

Synonyms: motilin1-13 (human)
Compound class: Peptide
Comment: Synthetic fragment of human motilin
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES CSCCC(C(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)C(Cc1ccccc1)N)Cc1ccccc1)Cc1ccc(cc1)O)CCC(=O)O)CC(C)C)CCC(=O)N)CCCN=C(N)N
Isomeric SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCSC)C(=O)O)[C@@H](C)O
InChI InChI=1S/C76H113N17O19S/c1-9-43(6)62(91-71(107)57-23-17-34-93(57)74(110)61(42(4)5)90-64(100)49(77)37-45-18-12-10-13-19-45)72(108)89-56(38-46-20-14-11-15-21-46)70(106)92-63(44(7)94)73(109)88-55(39-47-24-26-48(95)27-25-47)65(101)82-40-59(97)83-51(29-31-60(98)99)67(103)87-54(36-41(2)3)69(105)85-52(28-30-58(78)96)68(104)84-50(22-16-33-81-76(79)80)66(102)86-53(75(111)112)32-35-113-8/h10-15,18-21,24-27,41-44,49-57,61-63,94-95H,9,16-17,22-23,28-40,77H2,1-8H3,(H2,78,96)(H,82,101)(H,83,97)(H,84,104)(H,85,105)(H,86,102)(H,87,103)(H,88,109)(H,89,108)(H,90,100)(H,91,107)(H,92,106)(H,98,99)(H,111,112)(H4,79,80,81)/t43-,44+,49-,50-,51-,52-,53-,54-,55-,56-,57-,61-,62-,63-/m0/s1
InChI Key BYENHSKWDFWKRW-JAFQCPPXSA-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
motilin receptor Hs Agonist Full agonist 9.5 pIC50 - 1
pIC50 9.5 [1]