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P01911 | DRB1_HUMAN | "HLA class II histocompatibility antigen, DRB1 beta chain" (HLA-DRB1)

3D structures mapped by conservation among orthologs



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL79117 OBDepict H 3 C O NH O H N H O H N H O CH 3 H 3 C H 3 C H HN O H O NH 2 CH 3 CH 3 IC50 = 1.4 nM 525.69 CCOC(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C Homo sapiens CHEMBL800187 single protein format
CHEMBL311245 OBDepict CH 3 O N H O H N H O H NH O H 3 C CH 3 CH 3 H N H O H O N H IC50 = 12.0 nM 517.63 CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H]1CCCCNC1=O)C(C)C Homo sapiens CHEMBL800187 single protein format
CHEMBL80597 OBDepict CH 3 O N H O H NH O H HN O CH 3 H 3 C O CH 3 H HN O CH 3 H O H 2 N CH 3 CH 3 IC50 = 17.0 nM 563.7 CCOC(=O)N[C@H](Cc1ccc(OCC)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C Homo sapiens CHEMBL800187 single protein format
CHEMBL77558 OBDepict H 3 C O NH O H N H O H N H O CH 3 H 3 C Cl H 3 C H HN O H O NH 2 CH 3 CH 3 IC50 = 19.0 nM 554.09 CCOC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C Homo sapiens CHEMBL800187 single protein format
CHEMBL81463 OBDepict H 3 C N H NH O H N H O H N H O CH 3 H 3 C H 3 C H HN O H O NH 2 CH 3 CH 3 IC50 = 22.0 nM 518.66 CCNC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C Homo sapiens CHEMBL800187 single protein format
CHEMBL79058 OBDepict CH 3 O N H O H NH O H S HN O CH 3 H 3 C CH 3 H N H O H O H 2 N CH 3 H 3 C IC50 = 23.0 nM 575.73 CCOC(=O)N[C@H](Cc1csc2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C Homo sapiens CHEMBL800187 single protein format
CHEMBL80852 OBDepict H 3 C CH 3 N H H O NH 2 O HN CH 3 H O N H H CH 3 CH 3 O N H H O O H 3 C IC50 = 25.0 nM 545.68 CC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C Homo sapiens CHEMBL800187 single protein format
CHEMBL78426 OBDepict H 3 C O NH O H N H O H N H O CH 3 H 3 C H 3 C H HN O H O NH 2 CH 3 CH 3 IC50 = 28.0 nM 519.64 CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C Homo sapiens CHEMBL800187 single protein format
CHEMBL420761 OBDepict CH 3 O N H O H NH O H HN O CH 3 H 3 C CH 3 H HN O H O H 2 N CH 3 CH 3 IC50 = 32.0 nM 575.75 CCCCCCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C Homo sapiens CHEMBL800187 single protein format
CHEMBL80345 OBDepict CH 3 H 3 C N H H O H 2 N O N H CH 3 H O N H H CH 3 CH 3 O N H H O O CH 3 H 3 C CH 3 IC50 = 43.0 nM 547.7 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(N)=O Homo sapiens CHEMBL800187 single protein format
CHEMBL309641 OBDepict CH 3 O N H O H NH O H HN O CH 3 H 3 C O CH 3 H H 3 C HN O H O H 2 N CH 3 CH 3 IC50 = 46.0 nM 549.67 CCOC(=O)N[C@H](Cc1ccc(OC)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C Homo sapiens CHEMBL800187 single protein format
CHEMBL310163 OBDepict H 3 C CH 3 N H H O NH 2 O HN CH 3 H O N H H CH 3 CH 3 O N H H O O O H 3 C IC50 = 46.0 nM 547.65 CC(=O)OCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C Homo sapiens CHEMBL800187 single protein format
CHEMBL310312 OBDepict NH 2 N H H N H O O H 3 C H N H H HN O O O H O NH 2 CH 3 CH 3 CH 3 IC50 = 67.0 nM 548.69 CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O Homo sapiens CHEMBL800187 single protein format
CHEMBL310625 OBDepict H 3 C CH 3 N H H O NH 2 O HN CH 3 H O N H H CH 3 CH 3 O N H H O NH O H 3 C IC50 = 81.0 nM 546.67 CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C Homo sapiens CHEMBL800187 single protein format
CHEMBL78541 OBDepict NH 2 HN H NH O O H 3 C H N H H NH O O O H O NH 2 H 3 C H 3 C IC50 = 81.0 nM 548.69 CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC)C(N)=O Homo sapiens CHEMBL800187 single protein format
CHEMBL309610 OBDepict CH 3 O N H O H NH O H HN O CH 3 H 3 C + N CH 3 H O _ O HN O H O H 2 N CH 3 CH 3 IC50 = 140.0 nM 564.64 CCOC(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C Homo sapiens CHEMBL800187 single protein format
CHEMBL76898 OBDepict CH 3 N H O H NH O H HN O CH 3 H 3 C H 3 C H HN O H O NH 2 CH 3 CH 3 IC50 = 140.0 nM 531.7 CCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C Homo sapiens CHEMBL800187 single protein format
CHEMBL311939 OBDepict CH 3 O HN O H N H O H HN O H 3 C H 3 C H 3 C H N H O H O NH 2 CH 3 H 3 C IC50 = 160.0 nM 533.67 CCOC(=O)N[C@H](CCc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C Homo sapiens CHEMBL800187 single protein format
CHEMBL420380 OBDepict NH 2 NH O H HN O H N H O H 3 C CH 3 H 3 C H HN O H O H 2 N CH 3 CH 3 IC50 = 170.0 nM 560.74 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCN)C(C)C)C(N)=O Homo sapiens CHEMBL800187 single protein format
CHEMBL80176 OBDepict NH 2 HN H NH O O H 3 C H N H H NH O O O H O NH 2 H 3 C S H 3 C IC50 = 230.0 nM 566.73 CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(N)=O Homo sapiens CHEMBL800187 single protein format
CHEMBL80527 OBDepict H 3 C O HN O H N H O H N H O H 3 C CH 3 O CH 3 H NH O O CH 3 H O H 2 N CH 3 H 3 C IC50 = 240.0 nM 577.68 CCOC(=O)N[C@H](Cc1ccc(OC(C)=O)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C Homo sapiens CHEMBL800187 single protein format
CHEMBL80563 OBDepict CH 3 O NH O H N H O S H NH O CH 3 CH 3 H 3 C H N H O H O NH 2 H 3 C CH 3 IC50 = 270.0 nM 565.74 CCOC(=O)N[C@H](CSCc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C Homo sapiens CHEMBL800187 single protein format
CHEMBL312029 OBDepict H 3 C O NH O H N H O H N H O CH 3 H 3 C H 2 N H 3 C H HN O H O NH 2 CH 3 CH 3 IC50 = 540.0 nM 534.66 CCOC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C Homo sapiens CHEMBL800187 single protein format
CHEMBL80965 OBDepict NH 2 N H H N H O O CH 3 H N H H HN O O O O H 2 N CH 3 IC50 = 730.0 nM 546.67 CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NC1(C(N)=O)CCCC1 Homo sapiens CHEMBL800187 single protein format
CHEMBL80428 OBDepict CH 3 O NH O H N H O H N H O CH 3 H 3 C H 3 C H N H O H O NH 2 IC50 = 920.0 nM 553.66 CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C Homo sapiens CHEMBL800187 single protein format
CHEMBL80433 OBDepict H 2 N N H H N H O O H 3 C H N H H N H O O O H O NH 2 CH 3 IC50 = 920.0 nM 568.68 CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@H](C(N)=O)c1ccccc1 Homo sapiens CHEMBL800187 single protein format