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Name | CHEMBL281318 |
---|---|
Molecular formula | C38H44N10O4S2 |
IUPAC name | N-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-6-[[2-[3-[[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]acetyl]amino]hexanamide |
Molecular weight | 768.956 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 6 |
XlogP | 3.0 |
Synonyms | BDBM50287253 6-(2-{3-[3-((R)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-ureido]-phenyl}-acetylamino)-hexanoic acid [2-(2-guanidino-thiazol-4-ylmethylsulfanyl)-ethyl]-amide |
Inchi Key | OWBVDAUZBZRFGZ-UMSFTDKQSA-N |
Inchi ID | InChI=1S/C38H44N10O4S2/c1-48-30-16-8-7-15-29(30)33(26-12-4-2-5-13-26)45-34(35(48)51)46-37(52)43-27-14-10-11-25(21-27)22-32(50)41-18-9-3-6-17-31(49)42-19-20-53-23-28-24-54-38(44-28)47-36(39)40/h2,4-5,7-8,10-16,21,24,34H,3,6,9,17-20,22-23H2,1H3,(H,41,50)(H,42,49)(H2,43,46,52)(H4,39,40,44,47)/t34-/m0/s1 |
PubChem CID | 44280028 |
ChEMBL | CHEMBL281318 |
IUPHAR | N/A |
BindingDB | 50287253 |
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 |
---|---|---|---|---|---|
251713 | Cholecystokinin receptor type A | O08786 | Cckar | Mus musculus (Mouse) | 436 |
251710 | Gastrin/cholecystokinin type B receptor | P56481 | Cckbr | Mus musculus (Mouse) | 453 |
251712 | Gastrin/cholecystokinin type B receptor | P32239 | CCKBR | Homo sapiens (Human) | 447 |
251711 | Histamine H2 receptor | P25102 | Hrh2 | Rattus norvegicus (Rat) | 358 |
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