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Name | CHEMBL1802479 |
---|---|
Molecular formula | C49H63N11O8 |
IUPAC name | (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-1-[benzyl(ethyl)amino]-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide |
Molecular weight | 934.112 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 10 |
XlogP | 1.3 |
Synonyms | BDBM50347847 |
Inchi Key | VUDVXJKYZGQRLZ-LSLOANPCSA-N |
Inchi ID | InChI=1S/C49H63N11O8/c1-2-60(31-36-22-13-6-14-23-36)48(68)40(28-35-20-11-5-12-21-35)58-44(64)37(24-15-25-53-49(51)52)56-46(66)39(27-34-18-9-4-10-19-34)57-47(67)41(32-61)59-45(65)38(26-33-16-7-3-8-17-33)55-43(63)30-54-42(62)29-50/h3-14,16-23,37-41,61H,2,15,24-32,50H2,1H3,(H,54,62)(H,55,63)(H,56,66)(H,57,67)(H,58,64)(H,59,65)(H4,51,52,53)/t37-,38-,39-,40-,41-/m0/s1 |
PubChem CID | 53363725 |
ChEMBL | CHEMBL1802479 |
IUPHAR | N/A |
BindingDB | 50347847 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
364400 | Pyroglutamylated RF-amide peptide receptor | Q96P65 | QRFPR | Homo sapiens (Human) | 431 |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417