neurokinin A   Click here for help

GtoPdb Ligand ID: 2089

Abbreviated name: NKA
Synonyms: substance K
Species: Human, Mouse, Rat
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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)NCC(=O)NC(C(=O)NC(C(=O)N)CCSC)CC(C)C)C(C)C)Cc1ccccc1)CO)CC(=O)O)C(O)C)NC(=O)C(Cc1[nH]cnc1)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)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCSC)CC(C)C)C(C)C)Cc1ccccc1)CO)CC(=O)O)[C@H](O)C)NC(=O)[C@H](Cc1[nH]cnc1)N
InChI InChI=1S/C50H80N14O14S/c1-26(2)18-34(45(73)58-32(42(53)70)15-17-79-6)57-38(67)23-55-49(77)40(27(3)4)63-47(75)35(19-29-12-8-7-9-13-29)60-48(76)37(24-65)62-46(74)36(21-39(68)69)61-50(78)41(28(5)66)64-44(72)33(14-10-11-16-51)59-43(71)31(52)20-30-22-54-25-56-30/h7-9,12-13,22,25-28,31-37,40-41,65-66H,10-11,14-21,23-24,51-52H2,1-6H3,(H2,53,70)(H,54,56)(H,55,77)(H,57,67)(H,58,73)(H,59,71)(H,60,76)(H,61,78)(H,62,74)(H,63,75)(H,64,72)(H,68,69)/t28-,31+,32+,33+,34+,35+,36+,37+,40+,41+/m1/s1
InChI Key HEAUFJZALFKPBA-JPQUDPSNSA-N
Classification Click here for help
Compound class Endogenous peptide in human, mouse or rat
Ligand families/groups Neuropeptides
IUPAC Name Click here for help
(3S)-3-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(3H-imidazol-4-yl)propanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
Synonyms Click here for help
substance K
Gene/Precursor Click here for help
Gene symbol Gene name Species Precursor protein name Synonyms
TAC1 tachykinin precursor 1 Human preprotachykinin 1 (PPT-1) neurokinin 1, neurokinin 2, neurokinin alpha, neuromedin L, neuropeptide gamma, neuropeptide K, NKNA, NPK, substance K, substance P, TAC2, tachykinin, precursor 1, tachykinin, precursor 1 (substance K, substance P, neurokinin 1, neurokinin 2, neuromedin L, neurokinin alpha, neuropeptide K, neuropeptide gamma)
Tac1 tachykinin 1 Mouse preprotachykinin 1 (PPT-1) neurokinin 1, neurokinin A, NK1, NK-1, Nkna, PPTA, PPT-A, preprotachykinin A, SP, substance P
Tac1 tachykinin, precursor 1 Rat preprotachykinin 1 (PPT-1) PPT, Ppt5fl, PPTA3, protachykinin-1, RATPPTA3, TAC, tachykinin, tachykinin 1, tachykinin, precursor 1, Tachykinin (substance P neurokinin A neuropeptide K neuropeptide gamma), Tachykinin (substance P, neurokinin A, neuropeptide K, neuropeptide gamma)
Database Links Click here for help
BindingDB Ligand 50001447
CAS Registry No. 86933-74-6 (source: Scifinder)
ChEMBL Ligand CHEMBL217406
Ensembl Gene ENSG00000006128 (Hs), ENSRNOG00000007374 (Rn), ENSMUSG00000061762 (Mm)
GtoPdb PubChem SID 135651810
Human Protein Atlas ENSG00000006128 (Hs)
PubChem CID 5311311
Search Google for chemical match using the InChIKey HEAUFJZALFKPBA-JPQUDPSNSA-N
Search Google for chemicals with the same backbone HEAUFJZALFKPBA
UniChem Compound Search for chemical match using the InChIKey HEAUFJZALFKPBA-JPQUDPSNSA-N
UniChem Connectivity Search for chemical match using the InChIKey HEAUFJZALFKPBA-JPQUDPSNSA-N
UniProtKB P06767 (Rn), P41539 (Mm), P20366 (Hs)
Wikipedia Neurokinin_A

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Tocris
Neurokinin A (porcine)
Cat. No. 1152