CLUL1 (52-77)   Click here for help

GtoPdb Ligand ID: 10543

Compound class: Endogenous peptide in human, mouse or rat
Comment: This is a 26 amino acid peptide derived from the human clusterin-like protein 1 (CLUL1). It is amino acids 52-77 using Uniprot numbering. It has been identified as a novel ligand for the GPCR, GPR55 [1].
Species: Human
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2D Structure
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2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

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SMILES / InChI / InChIKey
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SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

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Canonical SMILES NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(C)C)C(O)C)CO)CCSC)CC(C)C)CC(=O)N)C(O)C)Cc1c[nH]cn1)CCC(=O)O)CCCCN)CCC(=O)O)NC(=O)C(NC(=O)C(NC(=O)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(C(CC)C)NC(=O)CNC(=O)C(C(O)C)NC(=O)C(NC(=O)C(N)C)CC(C)C)CCCCN)CCC(=O)N)CCSC)CCCCN)CCSC)CCSC)CCC(=O)O)CCCN=C(N)N
Isomeric SMILES NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)[C@H](O)C)CO)CCSC)CC(C)C)CC(=O)N)[C@H](O)C)Cc1c[nH]cn1)CCC(=O)O)CCCCN)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)CNC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](N)C)CC(C)C)CCCCN)CCC(=O)N)CCSC)CCCCN)CCSC)CCSC)CCC(=O)O)CCCN=C(N)N
InChI InChI=1S/C130H229N37O39S4/c1-19-68(9)100(163-96(174)62-142-124(200)102(71(12)169)165-121(197)89(57-66(5)6)157-105(181)70(11)135)125(201)155-77(32-23-27-49-133)108(184)148-80(35-39-94(136)172)110(186)152-84(43-52-207-15)114(190)146-78(33-24-28-50-134)118(194)164-101(69(10)20-2)126(202)156-87(46-55-210-18)116(192)153-85(44-53-208-16)115(191)151-82(37-41-98(177)178)112(188)147-79(34-29-51-141-130(138)139)109(185)144-75(30-21-25-47-131)106(182)149-81(36-40-97(175)176)111(187)145-76(31-22-26-48-132)107(183)150-83(38-42-99(179)180)113(189)159-90(59-74-61-140-64-143-74)122(198)166-103(72(13)170)127(203)160-91(60-95(137)173)120(196)158-88(56-65(3)4)119(195)154-86(45-54-209-17)117(193)162-93(63-168)123(199)167-104(73(14)171)128(204)161-92(129(205)206)58-67(7)8/h61,64-73,75-93,100-104,168-171H,19-60,62-63,131-135H2,1-18H3,(H2,136,172)(H2,137,173)(H,140,143)(H,142,200)(H,144,185)(H,145,187)(H,146,190)(H,147,188)(H,148,184)(H,149,182)(H,150,183)(H,151,191)(H,152,186)(H,153,192)(H,154,195)(H,155,201)(H,156,202)(H,157,181)(H,158,196)(H,159,189)(H,160,203)(H,161,204)(H,162,193)(H,163,174)(H,164,194)(H,165,197)(H,166,198)(H,167,199)(H,175,176)(H,177,178)(H,179,180)(H,205,206)(H4,138,139,141)/t68-,69-,70-,71+,72+,73+,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,100-,101-,102-,103-,104-/m0/s1
InChI Key RVUJAIDUVQKVDU-OTFOMDLSSA-N

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