You can:
Name | CHEMBL2371584 |
---|---|
Molecular formula | C60H91ClN18O14 |
IUPAC name | (2R,9R,14S)-14-acetamido-N-[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2R)-1-[[(2S)-1-[(2S)-2-[[(2R)-1-amino-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-[(4-chlorophenyl)methyl]-3,11,15-trioxo-1,4,10-triazacyclopentadecane-9-carboxamide |
Molecular weight | 1323.95 |
Hydrogen bond acceptor | 16 |
Hydrogen bond donor | 17 |
XlogP | -2.0 |
Synonyms | N/A |
Inchi Key | BGNYNRYIUQDATD-UHJAZGGOSA-N |
Inchi ID | InChI=1S/C60H91ClN18O14/c1-32(2)28-43(54(89)74-42(12-8-26-69-60(65)66)58(93)79-27-9-13-47(79)57(92)70-33(3)49(62)84)75-52(87)40(11-7-25-68-59(63)64)73-55(90)45(30-36-16-20-38(82)21-17-36)77-56(91)46(31-80)78-51(86)39-10-5-6-24-67-50(85)44(29-35-14-18-37(61)19-15-35)76-53(88)41(71-34(4)81)22-23-48(83)72-39/h14-21,32-33,39-47,80,82H,5-13,22-31H2,1-4H3,(H2,62,84)(H,67,85)(H,70,92)(H,71,81)(H,72,83)(H,73,90)(H,74,89)(H,75,87)(H,76,88)(H,77,91)(H,78,86)(H4,63,64,68)(H4,65,66,69)/t33-,39-,40-,41+,42+,43-,44-,45+,46+,47+/m1/s1 |
PubChem CID | 73348602 |
ChEMBL | CHEMBL2371584 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
23204 | Gonadotropin-releasing hormone receptor | P30969 | Gnrhr | Rattus norvegicus (Rat) | 327 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218