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Name | CHEMBL384262 |
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Molecular formula | C54H75N13O11 |
IUPAC name | (2S)-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[3-(4-hydroxyphenyl)propanoylamino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]pentanediamide |
Molecular weight | 1082.27 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 12 |
XlogP | 0.2 |
Synonyms | N-(3-(4-Hydroxyphenyl)-1-oxopropyl)-L-phenylalanyl-L-leucyl-L-phenylalanyl-L-glutaminyl-L-prolyl-L-glutaminyl-L-argininamide Desamino-tyr-phe-leu-phe-gln-pro-gln-arg-NH2 (2S)-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[3-(4-hydroxyphenyl)propanoylamino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]pyrrolid Desaminoyflfqpqramide AC1L30FN [ Show all ] |
Inchi Key | WIUOOARHSKVYCC-NKUVHBIJSA-N |
Inchi ID | InChI=1S/C54H75N13O11/c1-32(2)29-40(65-50(75)41(30-34-11-5-3-6-12-34)61-46(71)26-19-33-17-20-36(68)21-18-33)49(74)66-42(31-35-13-7-4-8-14-35)51(76)64-39(23-25-45(56)70)53(78)67-28-10-16-43(67)52(77)63-38(22-24-44(55)69)48(73)62-37(47(57)72)15-9-27-60-54(58)59/h3-8,11-14,17-18,20-21,32,37-43,68H,9-10,15-16,19,22-31H2,1-2H3,(H2,55,69)(H2,56,70)(H2,57,72)(H,61,71)(H,62,73)(H,63,77)(H,64,76)(H,65,75)(H,66,74)(H4,58,59,60)/t37-,38-,39-,40-,41-,42-,43-/m0/s1 |
PubChem CID | 132122 |
ChEMBL | CHEMBL384262 |
IUPHAR | N/A |
BindingDB | 50099301 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
374468 | Neuropeptide FF receptor 2 | Q9EQD2 | Npffr2 | Rattus norvegicus (Rat) | 417 |
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