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Name | CHEMBL3667932 |
---|---|
Molecular formula | C50H69N17O11 |
IUPAC name | (2S,5R,8S,11S,14S,22S)-22-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-2-(3-amino-3-oxopropyl)-5-[(4-cyanophenyl)methyl]-8-[3-(diaminomethylideneamino)propyl]-11-(1H-indol-3-ylmethyl)-3,6,9,12,19,23-hexaoxo-1,4,7,10,13,18-hexazacyclotricosane-14-carboxylic acid |
Molecular weight | 1084.21 |
Hydrogen bond acceptor | 14 |
Hydrogen bond donor | 15 |
XlogP | -3.2 |
Synonyms | BDBM160240 SCHEMBL14996007 US9040663, 86 |
Inchi Key | BFTHCBGAHXLIQX-OFDRTADWSA-N |
Inchi ID | InChI=1S/C50H69N17O11/c1-27(68)61-33(9-4-21-58-49(53)54)42(71)64-36-17-19-41(70)57-20-6-11-37(48(77)78)65-47(76)39(24-30-26-60-32-8-3-2-7-31(30)32)67-43(72)34(10-5-22-59-50(55)56)62-46(75)38(23-28-12-14-29(25-51)15-13-28)66-45(74)35(63-44(36)73)16-18-40(52)69/h2-3,7-8,12-15,26,33-39,60H,4-6,9-11,16-24H2,1H3,(H2,52,69)(H,57,70)(H,61,68)(H,62,75)(H,63,73)(H,64,71)(H,65,76)(H,66,74)(H,67,72)(H,77,78)(H4,53,54,58)(H4,55,56,59)/t33-,34-,35-,36-,37-,38+,39-/m0/s1 |
PubChem CID | 49847126 |
ChEMBL | CHEMBL3667932 |
IUPHAR | N/A |
BindingDB | 160240 |
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 |
---|---|---|---|---|---|
465696 | Melanocortin receptor 4 | P32245 | MC4R | Homo sapiens (Human) | 332 |
517447 | Melanocyte-stimulating hormone receptor | Q01726 | MC1R | Homo sapiens (Human) | 317 |
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