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Name | Orexin receptor type 1 |
---|---|
Species | Homo sapiens (Human) |
Gene | HCRTR1 |
Synonym | hypocretin receptor 1 OX1R Ox1-R OX1 receptor Ox-1-R [ Show all ] |
Disease | Insomnia Sleep disorders; Insomnia; Substance dependence Sleep disorders; Insomnia |
Length | 425 |
Amino acid sequence | MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP |
UniProt | O43613 |
Protein Data Bank | 4zjc, 4zj8 |
GPCR-HGmod model | O43613 |
3D structure model | This structure is from PDB ID 4zjc. |
BioLiP | BL0339163, BL0339164 |
Therapeutic Target Database | T73482 |
ChEMBL | CHEMBL5113 |
IUPHAR | 321 |
DrugBank | BE0005864 |
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GLASS ID | Molecule | Formula | Molecular weight | H-bond acceptor / donor | XlogP | Lipinski's druglikeness |
---|---|---|---|---|---|---|
57 | CID 44405017 | C128H211N45O35S | 2972.44 | 41 / 42 | -12.2 | No |
202 | SCHEMBL1671891 | C27H24N4OS | 452.576 | 5 / 0 | 4.9 | Yes |
356 | CHEMBL3667557 | C18H19ClN2O3S2 | 410.931 | 5 / 1 | 3.6 | Yes |
358 | SCHEMBL2026090 | C26H27FN4O3 | 462.525 | 7 / 0 | 3.0 | Yes |
389 | CHEMBL3670580 | C24H27N5OS | 433.574 | 6 / 0 | 4.6 | Yes |
463032 | CHEMBL3663396 | C25H26N2O3 | 402.494 | 4 / 0 | 4.9 | Yes |
729 | CHEMBL3667561 | C18H19BrN2O3S2 | 455.385 | 5 / 1 | 3.7 | Yes |
517321 | SCHEMBL4536874 | C20H19F4NO5 | 429.368 | 9 / 1 | 3.5 | Yes |
876 | SCHEMBL1671846 | C20H21N7O | 375.436 | 6 / 0 | 2.3 | Yes |
557331 | SCHEMBL17043222 | C24H26N4O2 | 402.498 | 5 / 0 | 3.2 | Yes |
926 | SCHEMBL6924756 | C26H25N7O | 451.534 | 6 / 0 | 3.9 | Yes |
535941 | CHEMBL3893150 | C22H20FN7O3 | 449.446 | 9 / 0 | 3.1 | Yes |
1145 | MLS001177268 | C22H22N2O3 | 362.429 | 3 / 2 | 3.6 | Yes |
1240 | SCHEMBL1671969 | C26H33N7O | 459.598 | 6 / 0 | 4.5 | Yes |
1289 | CHEMBL3667560 | C19H21ClN2O3S2 | 424.958 | 5 / 1 | 4.0 | Yes |
463140 | CHEMBL3659195 | C22H21FN4O2 | 392.434 | 5 / 0 | 3.4 | Yes |
1641 | SCHEMBL1671936 | C21H23N7O | 389.463 | 6 / 0 | 2.8 | Yes |
459246 | CHEMBL3894723 | C26H26N6O2 | 454.534 | 6 / 0 | 3.8 | Yes |
1731 | CHEMBL3669566 | C27H28N4O | 424.548 | 3 / 1 | 4.1 | Yes |
1833 | CHEMBL3667579 | C20H24N2O5S | 404.481 | 6 / 1 | 2.8 | Yes |
535961 | SCHEMBL4536732 | C23H24N2O3S | 408.516 | 5 / 0 | 3.8 | Yes |
2027 | SCHEMBL1671105 | C27H23FN4O | 438.506 | 5 / 0 | 4.6 | Yes |
533919 | CHEMBL3970835 | C23H23N7O4 | 461.482 | 9 / 0 | 2.9 | Yes |
2110 | SCHEMBL1671801 | C23H23FN6O | 418.476 | 7 / 0 | 2.9 | Yes |
2394 | SCHEMBL1673234 | C22H22FN5O2 | 407.449 | 7 / 0 | 3.4 | Yes |
517330 | SCHEMBL4536467 | C23H24N2O3 | 376.456 | 4 / 0 | 3.4 | Yes |
517332 | SCHEMBL4534799 | C23H24N2O3 | 376.456 | 4 / 0 | 3.4 | Yes |
2422 | CHEMBL3112601 | C23H24N2O3 | 376.456 | 4 / 0 | 3.4 | Yes |
535999 | SCHEMBL4529392 | C27H24N2OS | 424.562 | 3 / 0 | 5.5 | No |
3458 | CHEMBL1080571 | C26H32N4O2 | 432.568 | 4 / 1 | 3.9 | Yes |
459255 | CHEMBL3909223 | C26H25FN6O2 | 472.524 | 7 / 0 | 3.9 | Yes |
3514 | CHEMBL3235265 | C25H26N4O2 | 414.509 | 4 / 1 | 3.9 | Yes |
3601 | SMR000010089 | C20H20N2O3 | 336.391 | 4 / 1 | 3.6 | Yes |
536012 | SCHEMBL16464778 | C24H24N6O4 | 460.494 | 8 / 0 | 3.6 | Yes |
3785 | BDBM79952 | C20H20N2O6 | 384.388 | 6 / 2 | 3.4 | Yes |
557387 | SCHEMBL16655666 | C24H24N6O | 412.497 | 5 / 1 | 4.0 | Yes |
536016 | SCHEMBL4541596 | C22H24N4O3S | 424.519 | 7 / 0 | 3.2 | Yes |
521552 | CHEMBL3742398 | C23H20F2N2O6S | 490.478 | 8 / 0 | 3.7 | Yes |
536019 | SCHEMBL16463160 | C23H18F4N6O3 | 502.43 | 11 / 0 | 4.9 | No |
3977 | SCHEMBL1672410 | C22H26N4O3 | 394.475 | 6 / 0 | 2.8 | Yes |
536021 | CHEMBL3985942 | C23H22FN7O2 | 447.474 | 7 / 0 | 2.5 | Yes |
536024 | CHEMBL3965933 | C19H20F3N5O | 391.398 | 8 / 2 | 3.1 | Yes |
4083 | MLS001072368 | C23H26N4O | 374.488 | 3 / 2 | 4.1 | Yes |
4255 | MLS001223988 | C22H28N2O4S | 416.536 | 5 / 1 | 3.5 | Yes |
536038 | SCHEMBL4532006 | C21H23N5O3 | 393.447 | 6 / 0 | 2.0 | Yes |
517342 | CHEMBL3704932 | C23H22F4N6O | 474.464 | 10 / 1 | 4.0 | Yes |
4432 | CHEMBL3235258 | C23H23N5O2 | 401.47 | 5 / 1 | 3.0 | Yes |
4494 | CHEMBL1771432 | C19H17F3N4O | 374.367 | 6 / 2 | 3.8 | Yes |
536053 | SCHEMBL16463647 | C23H21ClN6O3 | 464.91 | 7 / 0 | 4.3 | Yes |
463464 | CHEMBL3659205 | C25H24N6O2 | 440.507 | 6 / 0 | 4.0 | Yes |
536056 | SCHEMBL4540837 | C25H25FN2O3 | 420.484 | 5 / 0 | 3.8 | Yes |
4898 | SCHEMBL6925282 | C25H26FN5O | 431.515 | 6 / 0 | 3.7 | Yes |
557416 | SCHEMBL16666146 | C20H20FN3O4S | 417.455 | 8 / 2 | 3.5 | Yes |
5138 | CID 44404999 | C121H209N43O34S | 2842.33 | 40 / 40 | -11.4 | No |
521614 | CHEMBL3741065 | C23H19ClN2O4 | 422.865 | 4 / 0 | 4.4 | Yes |
536074 | SCHEMBL4536986 | C22H24N4O3 | 392.459 | 5 / 0 | 2.4 | Yes |
5457 | BDBM50140022 | C94H151N25O25 | 2031.39 | 28 / 23 | -3.4 | No |
5525 | CHEMBL2381082 | C27H26F3N3O3S | 529.578 | 8 / 1 | 4.9 | No |
5692 | CHEMBL469146 | C23H23N7O | 413.485 | 6 / 0 | 3.6 | Yes |
459272 | CHEMBL3974582 | C23H21F2N7O3 | 481.464 | 9 / 0 | 3.2 | Yes |
6112 | SCHEMBL2027169 | C25H26N6O | 426.524 | 5 / 1 | 2.5 | Yes |
6292 | CHEMBL2413512 | C21H22FN7O | 407.453 | 7 / 0 | 2.9 | Yes |
6294 | CHEMBL3670630 | C21H22FN7O | 407.453 | 7 / 0 | 2.9 | Yes |
536098 | SCHEMBL16465942 | C23H21ClN6O3 | 464.91 | 7 / 0 | 4.3 | Yes |
6320 | CHEMBL185136 | C19H20Cl2N2O3 | 395.28 | 3 / 2 | 4.0 | Yes |
517352 | SCHEMBL4536325 | C20H18ClF4NO3 | 431.812 | 7 / 0 | 5.4 | No |
463640 | CHEMBL3622428 | C32H34N4O6S | 602.706 | 8 / 3 | 4.4 | No |
6443 | CHEMBL2031484 | C28H27FN4O2S | 502.608 | 6 / 1 | 5.5 | No |
547967 | CHEMBL3901510 | C20H21N5O2S | 395.481 | 6 / 0 | 3.2 | Yes |
557461 | SCHEMBL16033642 | C20H21N5O2S | 395.481 | 6 / 0 | 3.2 | Yes |
6549 | CHEMBL3649206 | C19H19FN8O2 | 410.413 | 5 / 1 | 0.6 | Yes |
6624 | CHEMBL524440 | C20H26N2O4S | 390.498 | 5 / 0 | 3.2 | Yes |
557471 | SCHEMBL16446669 | C21H26N6O2S | 426.539 | 7 / 1 | 3.1 | Yes |
6633 | CHEMBL2413372 | C24H22FN3O3S | 451.516 | 5 / 0 | 3.9 | Yes |
521642 | CHEMBL3741474 | C22H19F2N3O6S | 491.466 | 9 / 0 | 2.9 | Yes |
6696 | CHEMBL182269 | C24H25N3O3 | 403.482 | 4 / 2 | 3.3 | Yes |
517355 | CHEMBL3704949 | C21H24F3N3O2 | 407.437 | 7 / 1 | 4.5 | Yes |
6863 | SCHEMBL1671430 | C22H22N4OS | 390.505 | 5 / 0 | 3.6 | Yes |
6873 | CHEMBL2031494 | C29H27N3O3 | 465.553 | 4 / 2 | 4.2 | Yes |
536115 | SCHEMBL4536426 | C25H26N2O3 | 402.494 | 4 / 0 | 4.0 | Yes |
7061 | CHEMBL2381089 | C25H25F3N4OS | 486.557 | 8 / 1 | 5.8 | No |
557484 | SCHEMBL15658462 | C24H27N3O2 | 389.499 | 4 / 0 | 4.7 | Yes |
536155 | CHEMBL3910747 | C21H20F3N7O | 443.434 | 10 / 2 | 2.4 | Yes |
441989 | CHEMBL3398471 | C21H20FN7O2 | 421.436 | 8 / 0 | 3.0 | Yes |
463808 | CHEMBL3659198 | C23H21F2N3O2S | 441.497 | 7 / 0 | 4.9 | Yes |
536165 | SCHEMBL4534316 | C20H16F7NO2 | 435.342 | 9 / 0 | 5.3 | No |
7639 | CHEMBL2418838 | C31H37N3O6 | 547.652 | 7 / 2 | 3.7 | No |
536170 | SCHEMBL16465387 | C24H23FN6O2 | 446.486 | 7 / 0 | 4.5 | Yes |
7695 | 792173-99-0 | C17H13N5O2 | 319.324 | 5 / 2 | 2.0 | Yes |
7740 | CHEMBL1272096 | C17H15N5O3S2 | 401.459 | 8 / 1 | 2.4 | Yes |
7904 | MLS000096514 | C16H11NO4S2 | 345.387 | 7 / 0 | 4.0 | Yes |
459288 | CHEMBL3896431 | C24H21ClN6O2 | 460.922 | 6 / 0 | 3.6 | Yes |
8107 | SCHEMBL1671269 | C26H23N5O | 421.504 | 5 / 0 | 3.4 | Yes |
536179 | SCHEMBL16464245 | C24H23FN6O3 | 462.485 | 8 / 0 | 4.1 | Yes |
8260 | CHEMBL3113758 | C21H23F3N2O4 | 424.42 | 8 / 0 | 3.7 | Yes |
517361 | SCHEMBL4534291 | C20H18ClF4NO4 | 447.811 | 8 / 0 | 5.0 | Yes |
536188 | SCHEMBL17064033 | C25H25FN6O3 | 476.512 | 8 / 0 | 4.5 | Yes |
8471 | CHEMBL55270 | C17H13N5O2 | 319.324 | 5 / 2 | 2.3 | Yes |
463909 | CHEMBL3585948 | C22H21ClN4O2 | 408.886 | 5 / 1 | 3.6 | Yes |
533944 | CHEMBL3922646 | C22H15F3N4O3S | 472.442 | 10 / 0 | 5.2 | No |
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