α-CGRP-(8-37) (rat)   Click here for help

GtoPdb Ligand ID: 701

Synonyms: α-CGRP (8-37) (rat) | rat α-calcitonin gene-related peptide (8-37)
Compound class: Peptide or derivative
Comment: Synthetic fragment of α-CGRP
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Ligand Activity Visualisation Charts

These are box plot that provide a unique visualisation, summarising all the activity data for a ligand taken from ChEMBL and GtoPdb across multiple targets and species. Click on a plot to see the median, interquartile range, low and high data points. A value of zero indicates that no data are available. A separate chart is created for each target, and where possible the algorithm tries to merge ChEMBL and GtoPdb targets by matching them on name and UniProt accession, for each available species. However, please note that inconsistency in naming of targets may lead to data for the same target being reported across multiple charts.

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View interactive charts of activity data across species
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)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccccc1)C)CCC(=O)O)CO)C(C)C)CC(=O)N)C(O)C)C(C)C)Cc1ccccc1)CC(=O)N)CC(=O)O)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)CNC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(C(C)C)N)Cc1nc[nH]c1)CCCN=C(N)N)CC(C)C)C)CC(C)C)CC(C)C)CO)CCCN=C(N)N)CO
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)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)C)CCC(=O)O)CO)C(C)C)CC(=O)N)[C@H](O)C)C(C)C)Cc1ccccc1)CC(=O)N)CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](C(C)C)N)Cc1nc[nH]c1)CCCN=C(N)N)CC(C)C)C)CC(C)C)CC(C)C)CO)CCCN=C(N)N)CO
InChI InChI=1S/C138H223N41O42/c1-64(2)46-83(157-99(188)58-151-111(195)72(17)155-118(202)84(47-65(3)4)163-116(200)80(37-29-43-148-137(143)144)159-121(205)87(51-78-55-147-63-154-78)168-134(218)110(75(20)184)178-129(213)104(142)67(7)8)119(203)164-85(48-66(5)6)120(204)172-94(62-182)127(211)160-81(38-30-44-149-138(145)146)117(201)171-92(60-180)113(197)152-56-98(187)150-57-101(190)173-106(69(11)12)132(216)175-107(70(13)14)131(215)162-79(36-27-28-42-139)115(199)167-90(54-103(193)194)123(207)166-88(52-96(140)185)122(206)165-86(49-76-32-23-21-24-33-76)124(208)176-108(71(15)16)135(219)179-45-31-39-95(179)128(212)177-109(74(19)183)133(217)169-89(53-97(141)186)125(209)174-105(68(9)10)130(214)153-59-100(189)158-93(61-181)126(210)161-82(40-41-102(191)192)114(198)156-73(18)112(196)170-91(136(220)221)50-77-34-25-22-26-35-77/h21-26,32-35,55,63-75,79-95,104-110,180-184H,27-31,36-54,56-62,139,142H2,1-20H3,(H2,140,185)(H2,141,186)(H,147,154)(H,150,187)(H,151,195)(H,152,197)(H,153,214)(H,155,202)(H,156,198)(H,157,188)(H,158,189)(H,159,205)(H,160,211)(H,161,210)(H,162,215)(H,163,200)(H,164,203)(H,165,206)(H,166,207)(H,167,199)(H,168,218)(H,169,217)(H,170,196)(H,171,201)(H,172,204)(H,173,190)(H,174,209)(H,175,216)(H,176,208)(H,177,212)(H,178,213)(H,191,192)(H,193,194)(H,220,221)(H4,143,144,148)(H4,145,146,149)/t72-,73-,74+,75+,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,104-,105-,106-,107-,108-,109-,110-/m0/s1
InChI Key FENOOIMBDDRVMP-QZMRZBIOSA-N
References
1. Aldecoa A, Gujer R, Fischer JA, Born W. (2000)
Mammalian calcitonin receptor-like receptor/receptor activity modifying protein complexes define calcitonin gene-related peptide and adrenomedullin receptors in Drosophila Schneider 2 cells.
FEBS Lett, 471 (2-3): 156-60. [PMID:10767413]
2. Bühlmann N, Leuthäuser K, Muff R, Fischer JA, Born W. (1999)
A receptor activity modifying protein (RAMP)2-dependent adrenomedullin receptor is a calcitonin gene-related peptide receptor when coexpressed with human RAMP1.
Endocrinology, 140 (6): 2883-90. [PMID:10342881]
3. Husmann K, Born W, Fischer JA, Muff R. (2003)
Three receptor-activity-modifying proteins define calcitonin gene-related peptide or adrenomedullin selectivity of the mouse calcitonin-like receptor in COS-7 cells.
Biochem Pharmacol, 66 (11): 2107-15. [PMID:14609735]
4. Husmann K, Sexton PM, Fischer JA, Born W. (2000)
Mouse receptor-activity-modifying proteins 1, -2 and -3: amino acid sequence, expression and function.
Mol Cell Endocrinol, 162 (1-2): 35-43. [PMID:10854696]
5. Oliver KR, Kane SA, Salvatore CA, Mallee JJ, Kinsey AM, Koblan KS, Keyvan-Fouladi N, Heavens RP, Wainwright A, Jacobson M et al.. (2001)
Cloning, characterization and central nervous system distribution of receptor activity modifying proteins in the rat.
Eur J Neurosci, 14 (4): 618-28. [PMID:11556887]