You can:
Name | CHEMBL2373017 |
---|---|
Molecular formula | C43H65N13O10S2 |
IUPAC name | (2S,3S)-2-[[(2S)-1-[(2S)-2-[[(5S,8S,11S)-11-[[(2S)-5-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]-8-[(4-hydroxyphenyl)methyl]-7,10-dioxo-1,2-dithia-6,9-diazacyclotridecane-5-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid |
Molecular weight | 988.194 |
Hydrogen bond acceptor | 15 |
Hydrogen bond donor | 12 |
XlogP | -2.8 |
Synonyms | BDBM50452851 |
Inchi Key | DRNGOLHFSFKHPA-WOHZJSJJSA-N |
Inchi ID | InChI=1S/C43H65N13O10S2/c1-4-24(2)35(42(65)66)55-40(63)33-8-6-16-56(33)41(64)32(20-26-21-47-23-49-26)54-38(61)30-14-18-68-67-17-13-29(37(60)53-31(39(62)52-30)19-25-9-11-27(57)12-10-25)51-36(59)28(50-34(58)22-46-3)7-5-15-48-43(44)45/h9-12,21,23-24,28-33,35,46,57H,4-8,13-20,22H2,1-3H3,(H,47,49)(H,50,58)(H,51,59)(H,52,62)(H,53,60)(H,54,61)(H,55,63)(H,65,66)(H4,44,45,48)/t24-,28-,29-,30-,31-,32-,33-,35-/m0/s1 |
PubChem CID | 14756125 |
ChEMBL | CHEMBL2373017 |
IUPHAR | N/A |
BindingDB | 50452851 |
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. |
You can:
GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
67140 | Type-1A angiotensin II receptor | P25095 | Agtr1 | Rattus norvegicus (Rat) | 359 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218