HOME LIGAND hPROTEOME OTHERS DOCUMENT

O94788 | AL1A2_HUMAN | Retinal dehydrogenase 2 (ALDH1A2)

3D structures mapped by conservation among orthologs

[ Domain: "ALDH-like" // Aldedh_2nd ]

download pymol session

[ Domain: "ALDH-like" // Aldedh_1st_1 ]

download pymol session

[ Domain: pdbs with more than 2 multi-domains ]

download pymol session



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL4849586 OBDepict CH 3 S N N N N O N O IC50 = 21.0 nM 405.48 CC(Sc1nc2nn(C3COC3)cc2c(=O)n1-c1ccccc1)c1ccccn1 Homo sapiens CHEMBL4811565 single protein format
CHEMBL4876602 OBDepict O N N S N N CH 3 CH 3 H IC50 = 40.0 nM 362.46 C[C@@H](Sc1nc2c(cnn2C)c(=O)n1-c1ccccc1)c1ccccc1 Homo sapiens CHEMBL4811565 single protein format
CHEMBL3276621 OBDepict Cl Cl HN O N H O Cl Cl Ki = 56.0 nM 366.12 O=C(NCCCCCCCCNC(=O)C(Cl)Cl)C(Cl)Cl Homo sapiens CHEMBL4201992 single protein format
CHEMBL4846203 OBDepict CH 3 S N N N N O N O IC50 = 58.0 nM 405.48 CC(Sc1nc2nn(C3COC3)cc2c(=O)n1-c1ccccc1)c1cccnc1 Homo sapiens CHEMBL4811565 single protein format
CHEMBL4875157 OBDepict CH 3 S N N N N O CH 3 N IC50 = 63.0 nM 363.45 CC(Sc1nc2c(cnn2C)c(=O)n1-c1ccccc1)c1ccccn1 Homo sapiens CHEMBL4811565 single protein format
CHEMBL4286209 OBDepict CH 3 CH 3 CH 3 H 3 C CH 3 O Cl Cl Ki = 64.35 nM 367.36 CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)C(Cl)Cl)C(C)(C)CCC1 Homo sapiens CHEMBL4265389 single protein format
CHEMBL4090473 OBDepict O O O CH 3 CH 3 IC50 = 65.0 nM 268.31 Cc1oc2cc3oc(=O)c4c(c3cc2c1C)CCCC4 Homo sapiens CHEMBL4009339 assay format
CHEMBL4847114 OBDepict CH 3 S N N N O N O IC50 = 65.0 nM 404.5 CC(Sc1nc2nn(C3COC3)cc2c(=O)n1-c1ccccc1)c1ccccc1 Homo sapiens CHEMBL4811565 single protein format
CHEMBL1562069 OBDepict H 3 C O O O CH 3 CH 3 IC50 = 69.0 nM 256.3 CCCc1cc(=O)oc2cc3oc(C)c(C)c3cc12 Homo sapiens CHEMBL4009339 assay format
CHEMBL4859904 OBDepict CH 3 S N N N O N O IC50 = 80.0 nM 418.52 CC(Sc1nc2nn(CC3COC3)cc2c(=O)n1-c1ccccc1)c1ccccc1 Homo sapiens CHEMBL4811565 single protein format
CHEMBL4855442 OBDepict CH 3 S N N N N O CH 3 N IC50 = 89.0 nM 363.45 CC(Sc1nc2c(cnn2C)c(=O)n1-c1ccccc1)c1cccnc1 Homo sapiens CHEMBL4811565 single protein format
CHEMBL4848831 OBDepict OH S CH 3 N N N O CH 3 N IC50 = 100.0 nM 378.46 CC(Sc1nc2c(cnn2C)c(=O)n1-c1ccccc1)c1cccc(O)c1 Homo sapiens CHEMBL4811565 single protein format
CHEMBL4846491 OBDepict CH 3 O S CH 3 N N N O CH 3 N IC50 = 108.0 nM 392.48 COc1cccc(C(C)Sc2nc3c(cnn3C)c(=O)n2-c2ccccc2)c1 Homo sapiens CHEMBL4811565 single protein format
CHEMBL4862833 OBDepict F S CH 3 N N N O CH 3 N IC50 = 110.0 nM 380.45 CC(Sc1nc2c(cnn2C)c(=O)n1-c1ccccc1)c1cccc(F)c1 Homo sapiens CHEMBL4811565 single protein format
CHEMBL4848258 OBDepict CH 3 S N N N O CH 3 N IC50 = 110.0 nM 362.46 CC(Sc1nc2c(cnn2C)c(=O)n1-c1ccccc1)c1ccccc1 Homo sapiens CHEMBL4811565 single protein format
CHEMBL4861872 OBDepict CH 3 S N N N O N H 3 C O IC50 = 112.0 nM 418.52 CC(Sc1nc2nn(C3(C)COC3)cc2c(=O)n1-c1ccccc1)c1ccccc1 Homo sapiens CHEMBL4811565 single protein format
CHEMBL1349972 OBDepict CH 3 O CH 3 O O IC50 = 130.0 nM 254.28 Cc1oc2cc3oc(=O)c4c(c3cc2c1C)CCC4 Homo sapiens CHEMBL4009339 assay format
CHEMBL4874309 OBDepict H 3 C O S CH 3 N N N O H 3 C N IC50 = 136.0 nM 392.48 COc1ccccc1C(C)Sc1nc2c(cnn2C)c(=O)n1-c1ccccc1 Homo sapiens CHEMBL4811565 single protein format
CHEMBL4213331 OBDepict F S N N N O CH 3 N IC50 = 150.0 nM 366.42 Cn1ncc2c(=O)n(-c3ccccc3)c(SCc3cccc(F)c3)nc21 Homo sapiens CHEMBL4202008 single protein format
CHEMBL4873090 OBDepict O S N N H 3 C N O IC50 = 170.0 nM 373.44 Cn1ncc2c(=O)n(-c3ccccc3)c3c(c21)C(=O)C(c1ccccc1)S3 Homo sapiens CHEMBL4811565 single protein format
CHEMBL4876076 OBDepict CH 3 S N N N O CH 3 N IC50 = 179.0 nM 376.49 CCC(Sc1nc2c(cnn2C)c(=O)n1-c1ccccc1)c1ccccc1 Homo sapiens CHEMBL4811565 single protein format
CHEMBL4286209 OBDepict CH 3 CH 3 CH 3 H 3 C CH 3 O Cl Cl IC50 = 191.32 nM 367.36 CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)C(Cl)Cl)C(C)(C)CCC1 Homo sapiens CHEMBL4265384 single protein format
CHEMBL4867380 OBDepict HO N S N O CH 3 N N H 3 C IC50 = 216.0 nM 406.51 CC(Sc1nc2c(cnn2C)c(=O)n1-c1ccc(CCO)cc1)c1ccccc1 Homo sapiens CHEMBL4811565 single protein format
CHEMBL4216790 OBDepict F S N N N O N O IC50 = 230.0 nM 408.46 O=c1c2cnn(C3COC3)c2nc(SCc2cccc(F)c2)n1-c1ccccc1 Homo sapiens CHEMBL4202008 single protein format
CHEMBL4873315 OBDepict F S N N O CH 3 N IC50 = 240.0 nM 365.43 Cn1ncc2c(=O)n(-c3ccccc3)c(SCc3cccc(F)c3)cc21 Homo sapiens CHEMBL4811565 single protein format
CHEMBL4210115 OBDepict F S N N N O N O IC50 = 250.0 nM 408.46 O=c1c2cn(C3COC3)nc2nc(SCc2cccc(F)c2)n1-c1ccccc1 Homo sapiens CHEMBL4202008 single protein format
CHEMBL4868666 OBDepict O N S N N CH 3 IC50 = 270.0 nM 371.46 Cn1ncc2c(=O)n(-c3ccccc3)c3c(c21)C=CC(c1ccccc1)S3 Homo sapiens CHEMBL4811565 single protein format
CHEMBL4099822 OBDepict CH 3 O O CH 3 O H 3 C H 3 C IC50 = 300.0 nM 270.33 CCCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O Homo sapiens CHEMBL4009339 assay format
CHEMBL4863668 OBDepict H 3 C CH 3 S N N N O CH 3 N IC50 = 300.0 nM 390.51 CC(C)C(Sc1nc2c(cnn2C)c(=O)n1-c1ccccc1)c1ccccc1 Homo sapiens CHEMBL4811565 single protein format
CHEMBL4072941 OBDepict CH 3 O O CH 3 O H 3 C H 3 C IC50 = 330.0 nM 242.27 Cc1oc2cc3oc(=O)c(C)c(C)c3cc2c1C Homo sapiens CHEMBL4009339 assay format
CHEMBL4214509 OBDepict F S N N N O N CH 3 IC50 = 340.0 nM 366.42 Cn1cc2c(=O)n(-c3ccccc3)c(SCc3cccc(F)c3)nc2n1 Homo sapiens CHEMBL4202008 single protein format
CHEMBL4849624 OBDepict CH 3 S N N N N N O CH 3 N IC50 = 380.0 nM 364.43 CC(Sc1nc2c(cnn2C)c(=O)n1-c1ccccc1)c1cncnc1 Homo sapiens CHEMBL4811565 single protein format
CHEMBL4860590 OBDepict O S N N H 3 C N O IC50 = 400.0 nM 387.46 Cn1ncc2c(=O)n(-c3ccccc3)c3c(c21)C(=O)CC(c1ccccc1)S3 Homo sapiens CHEMBL4811565 single protein format
CHEMBL4848961 OBDepict F N N N O CH 3 N IC50 = 440.0 nM 346.37 Cn1ncc2c(=O)n(-c3ccccc3)c(/C=C/c3cccc(F)c3)nc21 Homo sapiens CHEMBL4811565 single protein format
CHEMBL4217452 OBDepict F S N N N O N O IC50 = 480.0 nM 422.49 O=c1c2cn(CC3COC3)nc2nc(SCc2cccc(F)c2)n1-c1ccccc1 Homo sapiens CHEMBL4202008 single protein format
CHEMBL4210318 OBDepict F S N N N O CH 3 N Cl IC50 = 560.0 nM 400.87 Cn1ncc2c(=O)n(-c3cccc(Cl)c3)c(SCc3cccc(F)c3)nc21 Homo sapiens CHEMBL4202008 single protein format
CHEMBL4866017 OBDepict OH N S N O CH 3 N N H 3 C IC50 = 600.0 nM 392.48 CC(Sc1nc2c(cnn2C)c(=O)n1-c1ccc(CO)cc1)c1ccccc1 Homo sapiens CHEMBL4811565 single protein format
CHEMBL4217294 OBDepict F S N N N O H N IC50 = 670.0 nM 352.39 O=c1c2cn[nH]c2nc(SCc2cccc(F)c2)n1-c1ccccc1 Homo sapiens CHEMBL4202008 single protein format
CHEMBL4209261 OBDepict F S N N N O CH 3 N IC50 = 720.0 nM 380.45 Cn1ncc2c(=O)n(Cc3ccccc3)c(SCc3cccc(F)c3)nc21 Homo sapiens CHEMBL4202008 single protein format
CHEMBL4064364 OBDepict CH 3 O O CH 3 O H 3 C IC50 = 760.0 nM 256.3 CCCc1c(C)c2cc3c(C)coc3cc2oc1=O Homo sapiens CHEMBL4009339 assay format
CHEMBL4877915 OBDepict CH N S N O CH 3 N N H 3 C IC50 = 800.0 nM 386.48 C#Cc1ccc(-n2c(SC(C)c3ccccc3)nc3c(cnn3C)c2=O)cc1 Homo sapiens CHEMBL4811565 single protein format
CHEMBL4865571 OBDepict F S N N N O CH 3 IC50 = 810.0 nM 365.43 Cn1ccc2c(=O)n(-c3ccccc3)c(SCc3cccc(F)c3)nc21 Homo sapiens CHEMBL4811565 single protein format
CHEMBL4871374 OBDepict Cl N N N N O IC50 = 890.0 nM 408.93 O=C(C1CC1)N1CCN(Cc2nc3ccccc3n2Cc2cccc(Cl)c2)CC1 Homo sapiens CHEMBL4825198 single protein format
CHEMBL4213859 OBDepict F S N N N O H 3 C N IC50 = 900.0 nM 394.48 Cn1ncc2c(=O)n(CCc3ccccc3)c(SCc3cccc(F)c3)nc21 Homo sapiens CHEMBL4202008 single protein format
CHEMBL4642789 OBDepict CH 3 O O N N Ki = 920.0 nM 328.37 COC(=O)c1ccc(-c2cccn3cc(-c4ccccc4)nc23)cc1 Homo sapiens CHEMBL4606693 single protein format