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
GtoPdb PubChem SID 135651810
PubChem CID 5311311
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UniProtKB P20366 (Hs), P41539 (Mm), P06767 (Rn)
Wikipedia Neurokinin_A

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Tocris
Neurokinin A (porcine)
Cat. No. 1152