neurokinin B   

GtoPdb Ligand ID: 2090

Synonyms: neurokinin β | neuromedin K
Species: Human, Mouse, Rat, Pig
2D Structure
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SMILES / InChI / InChIKey
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
Compound class Endogenous peptide in human, mouse or rat
Ligand families/groups Neuropeptides
IUPAC Name
(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
neurokinin β | neuromedin K
Gene/Precursor
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
BindingDB Ligand 50079412
CAS Registry No. 86933-75-7
ChEMBL Ligand CHEMBL437797
GtoPdb PubChem SID 135651811
PubChem CID 5311312
Search Google for chemical match using the InChIKey NHXYSAFTNPANFK-HDMCBQFHSA-N
Search Google for chemicals with the same backbone NHXYSAFTNPANFK
Search UniChem for chemical match using the InChIKey NHXYSAFTNPANFK-HDMCBQFHSA-N
Search UniChem for chemicals with the same backbone NHXYSAFTNPANFK
UniProtKB Q9UHF0 (Hs), P55099 (Mm), P08435 (Rn), P67934 (Pig)
Wikipedia Neurokinin_B

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