neurokinin B   Click here for help

GtoPdb Ligand ID: 2090

Synonyms: neurokinin β | neuromedin K
Species: Human, Mouse, Rat, Pig
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES CSCCC(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)Cc1ccccc1)CC(=O)O)Cc1[nH]cnc1)NC(=O)C(CC(=O)O)N
Isomeric SMILES CSCC[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)Cc1ccccc1)CC(=O)O)Cc1[nH]cnc1)NC(=O)[C@H](CC(=O)O)N
InChI InChI=1S/C55H79N13O14S2/c1-30(2)21-38(50(77)62-36(47(57)74)17-19-83-5)61-43(69)28-59-55(82)46(31(3)4)68-54(81)40(23-33-15-11-8-12-16-33)65-51(78)39(22-32-13-9-7-10-14-32)64-53(80)42(26-45(72)73)67-52(79)41(24-34-27-58-29-60-34)66-49(76)37(18-20-84-6)63-48(75)35(56)25-44(70)71/h7-16,27,29-31,35-42,46H,17-26,28,56H2,1-6H3,(H2,57,74)(H,58,60)(H,59,82)(H,61,69)(H,62,77)(H,63,75)(H,64,80)(H,65,78)(H,66,76)(H,67,79)(H,68,81)(H,70,71)(H,72,73)/t35-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1
InChI Key NHXYSAFTNPANFK-HDMCBQFHSA-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)-2-[[(2S)-2-[[(2S)-2-amino-4-hydroxy-4-oxobutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(3H-imidazol-4-yl)propanoyl]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]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
Synonyms Click here for help
neurokinin β | neuromedin K
Gene/Precursor Click here for help
Gene symbol Gene name Species Precursor protein name Synonyms
TAC3 tachykinin precursor 3 Human preprotachykinin-B neurokinin beta, neuromedin K, NKB, NKNB, tachykinin 3, ZNEUROK1
Tac2 tachykinin 2 Mouse preprotachykinin-B neurokinin 2, neurokinin A, neurokinin alpha, neuromedin L, neuropeptide K, substance K
Tac3 tachykinin precursor 3 Rat preprotachykinin-B neurokinin B, Tac2, Tac3, tachykinin 2, tachykinin 3, tachykinin-3
TAC3 Pig prepro-neurokinin B -
Database Links Click here for help
BindingDB Ligand 50079412
CAS Registry No. 86933-75-7
ChEMBL Ligand CHEMBL437797
Ensembl Gene ENSSSCG00000000418 (Pig), ENSG00000166863 (Hs), ENSMUSG00000025400 (Mm)
GtoPdb PubChem SID 135651811
Human Protein Atlas ENSG00000166863 (Hs)
PubChem CID 5311312
Search Google for chemical match using the InChIKey NHXYSAFTNPANFK-HDMCBQFHSA-N
Search Google for chemicals with the same backbone NHXYSAFTNPANFK
UniChem Compound Search for chemical match using the InChIKey NHXYSAFTNPANFK-HDMCBQFHSA-N
UniChem Connectivity Search for chemical match using the InChIKey NHXYSAFTNPANFK-HDMCBQFHSA-N
UniProtKB P55099 (Mm), P67934 (Pig), Q9UHF0 (Hs), P08435 (Rn)
Wikipedia Neurokinin_B

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