LL-37   Click here for help

GtoPdb Ligand ID: 5527

Synonyms: antibacterial protein LL-37 | cathelicidin LL 37 (human)
Immunopharmacology Ligand
Comment: A member of the cathelicidin family of antimicrobial peptides. Induces FPRL-1-mediated chemotaxis of human neutrophils. The mouse orthologue of LL-37 is CRAMP.
Species: Human
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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)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)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CO)CCC(=O)O)C(O)C)CCCN=C(N)N)C(C)C)CC(C)C)CC(=O)N)CCCN=C(N)N)CC(C)C)Cc1ccccc1)CC(=O)O)CCCCN)C(CC)C)CCCN=C(N)N)CCC(=O)N)C(C)C)C(CC)C)CCCN=C(N)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=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)CNC(=O)C(NC(=O)C(CC(C)C)N)CC(C)C)CC(=O)O)Cc1ccccc1)Cc1ccccc1)CCCN=C(N)N)CCCCN)CO)CCCCN)CCC(=O)O)CCCCN)CCCCN)CCC(=O)O)Cc1ccccc1
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)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)N[C@H](C(=O)O)CO)CCC(=O)O)[C@H](O)C)CCCN=C(N)N)C(C)C)CC(C)C)CC(=O)N)CCCN=C(N)N)CC(C)C)Cc1ccccc1)CC(=O)O)CCCCN)[C@H](CC)C)CCCN=C(N)N)CCC(=O)N)C(C)C)[C@H](CC)C)CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=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](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](CC(C)C)N)CC(C)C)CC(=O)O)Cc1ccccc1)Cc1ccccc1)CCCN=C(N)N)CCCCN)CO)CCCCN)CCC(=O)O)CCCCN)CCCCN)CCC(=O)O)Cc1ccccc1
InChI InChI=1S/C205H340N60O53/c1-20-114(16)162(261-179(296)128(66-40-46-86-211)235-176(293)135(74-78-155(273)274)243-170(287)125(63-37-43-83-208)241-192(309)148(106-266)257-174(291)126(64-38-44-84-209)234-171(288)129(67-47-87-225-201(215)216)240-185(302)142(98-119-55-29-24-30-56-119)252-187(304)144(100-121-59-33-26-34-60-121)253-189(306)146(102-158(279)280)233-154(272)104-230-167(284)138(94-109(6)7)248-166(283)122(212)93-108(4)5)194(311)231-105-153(271)232-123(61-35-41-81-206)168(285)242-136(75-79-156(275)276)177(294)251-141(97-118-53-27-23-28-54-118)184(301)238-124(62-36-42-82-207)169(286)236-131(69-49-89-227-203(219)220)181(298)263-164(116(18)22-3)197(314)259-160(112(12)13)195(312)246-134(73-77-151(213)269)175(292)237-132(70-50-90-228-204(221)222)180(297)262-163(115(17)21-2)196(313)245-127(65-39-45-85-210)172(289)256-147(103-159(281)282)190(307)254-143(99-120-57-31-25-32-58-120)186(303)249-139(95-110(8)9)183(300)239-130(68-48-88-226-202(217)218)173(290)255-145(101-152(214)270)188(305)250-140(96-111(10)11)191(308)260-161(113(14)15)199(316)265-92-52-72-150(265)193(310)244-133(71-51-91-229-205(223)224)182(299)264-165(117(19)268)198(315)247-137(76-80-157(277)278)178(295)258-149(107-267)200(317)318/h23-34,53-60,108-117,122-150,160-165,266-268H,20-22,35-52,61-107,206-212H2,1-19H3,(H2,213,269)(H2,214,270)(H,230,284)(H,231,311)(H,232,271)(H,233,272)(H,234,288)(H,235,293)(H,236,286)(H,237,292)(H,238,301)(H,239,300)(H,240,302)(H,241,309)(H,242,285)(H,243,287)(H,244,310)(H,245,313)(H,246,312)(H,247,315)(H,248,283)(H,249,303)(H,250,305)(H,251,294)(H,252,304)(H,253,306)(H,254,307)(H,255,290)(H,256,289)(H,257,291)(H,258,295)(H,259,314)(H,260,308)(H,261,296)(H,262,297)(H,263,298)(H,264,299)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,317,318)(H4,215,216,225)(H4,217,218,226)(H4,219,220,227)(H4,221,222,228)(H4,223,224,229)/t114-,115-,116-,117+,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,160-,161-,162-,163-,164-,165-/m0/s1
InChI Key POIUWJQBRNEFGX-XAMSXPGMSA-N
Classification Click here for help
Compound class Endogenous peptide in human, mouse or rat
Synonyms Click here for help
antibacterial protein LL-37 | cathelicidin LL 37 (human)
Gene/Precursor Click here for help
Gene symbol Gene name Species Precursor protein name Synonyms
CAMP cathelicidin antimicrobial peptide Human prepro-cathelicidin antimicrobial peptide CAP18, FALL39, FALL-39, LL37
Database Links Click here for help
Ensembl Gene ENSG00000164047 (Hs)
Entrez Gene 820 (Hs)
GtoPdb PubChem SID 178102170
Human Protein Atlas ENSG00000164047 (Hs)
PubChem CID 134611881
Search Google for chemical match using the InChIKey POIUWJQBRNEFGX-XAMSXPGMSA-N
Search Google for chemicals with the same backbone POIUWJQBRNEFGX
Search UniChem for chemical match using the InChIKey POIUWJQBRNEFGX-XAMSXPGMSA-N
Search UniChem for chemicals with the same backbone POIUWJQBRNEFGX
UniProtKB P49913 (Hs)

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Tocris
LL 37
Cat. No. 5213