Piscicocin V1b

Details

• Internal ID: ea58d0ab-259b-4157-8f3b-c44d7b84d80d
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides
• IUPAC Name: 2-[[2-[[2-[[2-[[2-(2-aminopropanoylamino)-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-N-[2-[[1-[[3-(4-hydroxyphenyl)-1-oxo-1-[(1-oxo-3-sulfanylpropan-2-yl)amino]propan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]butanediamide
• InChI: InChI=1S/C46H67N11O14S/c1-6-24(4)39(57-40(65)25(5)47)46(71)55-34(21-59)44(69)53-31(15-26-7-11-29(60)12-8-26)41(66)49-18-36(63)52-33(17-35(48)62)42(67)50-19-37(64)56-38(23(2)3)45(70)54-32(43(68)51-28(20-58)22-72)16-27-9-13-30(61)14-10-27/h7-14,20,23-25,28,31-34,38-39,59-61,72H,6,15-19,21-22,47H2,1-5H3,(H2,48,62)(H,49,66)(H,50,67)(H,51,68)(H,52,63)(H,53,69)(H,54,70)(H,55,71)(H,56,64)(H,57,65)
• InChI Key: KLQORMSDCIDQPN-UHFFFAOYSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₄₆H₆₇N₁₁O₁₄S
• Molecular Weight: 1030.20 g/mol
• Exact Mass: 1029.45896703 g/mol
• Topological Polar Surface Area (TPSA): 410.00 Ų
• XlogP: -1.80

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL2581	P07339	Cathepsin D	99.90%	98.95%
CHEMBL1907594	P30926	Neuronal acetylcholine receptor; alpha3/beta4	99.23%	97.23%
CHEMBL3837	P07711	Cathepsin L	97.98%	96.61%
CHEMBL1255126	O15151	Protein Mdm4	97.76%	90.20%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	97.26%	94.45%
CHEMBL4801	P29466	Caspase-1	97.18%	96.85%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	97.12%	100.00%
CHEMBL5261	Q7L7X3	Serine/threonine-protein kinase TAO1	96.94%	89.33%
CHEMBL3286	P00749	Urokinase-type plasminogen activator	96.12%	97.88%
CHEMBL2514	O95665	Neurotensin receptor 2	95.91%	100.00%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	95.62%	97.21%
CHEMBL3060	Q9Y345	Glycine transporter 2	95.10%	99.17%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.26%	91.11%
CHEMBL236	P41143	Delta opioid receptor	94.19%	99.35%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.95%	96.09%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	91.14%	95.50%
CHEMBL4208	P20618	Proteasome component C5	90.98%	90.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.37%	95.56%
CHEMBL5701	Q9H2K8	Serine/threonine-protein kinase TAO3	88.88%	96.67%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	86.72%	96.95%
CHEMBL2535	P11166	Glucose transporter	86.61%	98.75%
CHEMBL3359	P21462	Formyl peptide receptor 1	85.05%	93.56%
CHEMBL259	P32245	Melanocortin receptor 4	84.46%	95.38%
CHEMBL4973	P43004	Excitatory amino acid transporter 2	83.71%	98.75%
CHEMBL340	P08684	Cytochrome P450 3A4	83.50%	91.19%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	83.43%	93.00%
CHEMBL3663	P62993	Growth factor receptor-bound protein 2	83.40%	90.00%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	83.30%	97.29%
CHEMBL3392948	Q9NP59	Solute carrier family 40 member 1	83.09%	95.00%
CHEMBL3891	P07384	Calpain 1	82.69%	93.04%
CHEMBL3984	Q99640	Tyrosine- and threonine-specific cdc2-inhibitory kinase	82.04%	85.00%
CHEMBL2664	P23526	Adenosylhomocysteinase	81.62%	86.67%
CHEMBL2413	P32246	C-C chemokine receptor type 1	80.87%	89.50%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	80.53%	90.71%
CHEMBL5163	Q9NY46	Sodium channel protein type III alpha subunit	80.29%	96.90%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139587212
• LOTUS: LTS0074918
• wikiData: Q77560469