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Name | CHEMBL257921 |
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Molecular formula | C49H72N14O8 |
IUPAC name | N-[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S,3S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]benzamide |
Molecular weight | 985.205 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 13 |
XlogP | 0.4 |
Synonyms | D06RSR BDBM50372280 Bz--RYYRIK-NH2 |
Inchi Key | OBDOGETZOBOLDY-GCFINZEGSA-N |
Inchi ID | InChI=1S/C49H72N14O8/c1-3-30(2)40(47(71)58-35(41(51)65)18-10-11-25-50)63-44(68)37(20-13-27-57-49(54)55)60-45(69)39(29-32-21-23-34(64)24-22-32)62-46(70)38(28-31-14-6-4-7-15-31)61-43(67)36(19-12-26-56-48(52)53)59-42(66)33-16-8-5-9-17-33/h4-9,14-17,21-24,30,35-40,64H,3,10-13,18-20,25-29,50H2,1-2H3,(H2,51,65)(H,58,71)(H,59,66)(H,60,69)(H,61,67)(H,62,70)(H,63,68)(H4,52,53,56)(H4,54,55,57)/t30-,35-,36-,37-,38-,39-,40-/m0/s1 |
PubChem CID | 44456187 |
ChEMBL | CHEMBL257921 |
IUPHAR | N/A |
BindingDB | 50372280 |
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 |
---|---|---|---|---|---|
236895 | Nociceptin receptor | P35377 | Oprl1 | Mus musculus (Mouse) | 367 |
236896 | Nociceptin receptor | P41146 | OPRL1 | Homo sapiens (Human) | 370 |
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