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P19320 | VCAM1_HUMAN | Vascular cell adhesion protein 1 (VCAM1)

3D structures mapped by conservation among orthologs

[ Domain: "Immunoglobulin/Fibronectin type III/E set domains/PapD-like" // I-set_5 ]

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[ Domain: "Immunoglobulin/Fibronectin type III/E set domains/PapD-like" // C2-set ]

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

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[ 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
CHEMBL119039 OBDepict CH 3 N H O S N O N N IC50 = 5.0 nM 350.4 CNC(=O)c1cc2c(Oc3ccc(-n4cccn4)cc3)cncc2s1 Homo sapiens CHEMBL818854 cell-based format
CHEMBL117894 OBDepict CH 3 N H O S N O S IC50 = 6.0 nM 366.47 CNC(=O)c1cc2c(Oc3ccc(-c4cccs4)cc3)cncc2s1 Homo sapiens CHEMBL818854 cell-based format
CHEMBL326120 OBDepict H 2 N O S N O N N IC50 = 17.0 nM 336.38 NC(=O)c1cc2c(Oc3ccc(-n4ccnc4)cc3)cncc2s1 Homo sapiens CHEMBL818854 cell-based format
CHEMBL325184 OBDepict CH 3 N H O S N O N N IC50 = 19.0 nM 350.4 CNC(=O)c1cc2c(Oc3ccc(-n4ccnc4)cc3)cncc2s1 Homo sapiens CHEMBL818854 cell-based format
CHEMBL119183 OBDepict CH 3 O O N S O H 2 N IC50 = 23.0 nM 314.37 COCc1ccc(Oc2cncc3sc(C(N)=O)cc23)cc1 Homo sapiens CHEMBL818854 cell-based format
CHEMBL116070 OBDepict Br O N S O NH 2 IC50 = 48.0 nM 349.21 NC(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1 Homo sapiens CHEMBL818854 cell-based format
CHEMBL117936 OBDepict NH 2 O N S O NH 2 IC50 = 64.0 nM 285.33 NC(=O)c1cc2c(Oc3ccc(N)cc3)cncc2s1 Homo sapiens CHEMBL818854 cell-based format
CHEMBL118074 OBDepict H 3 C NH O S N O Cl IC50 = 70.0 nM 318.79 CNC(=O)c1cc2c(Oc3ccc(Cl)cc3)cncc2s1 Homo sapiens CHEMBL818856 cell-based format
CHEMBL118089 OBDepict CH 3 N H O S N O OH IC50 = 74.0 nM 354.43 CNC(=O)c1cc2c(Oc3ccc(C4(CO)CC4)cc3)cncc2s1 Homo sapiens CHEMBL818854 cell-based format
CHEMBL115637 OBDepict CH 3 N H O S N O IC50 = 79.0 nM 360.44 CNC(=O)c1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1 Homo sapiens CHEMBL818854 cell-based format
CHEMBL117198 OBDepict N O N S O H 2 N IC50 = 85.0 nM 295.32 N#Cc1ccc(Oc2cncc3sc(C(N)=O)cc23)cc1 Homo sapiens CHEMBL818854 cell-based format
CHEMBL115971 OBDepict CH 3 N H O S N O N IC50 = 91.0 nM 309.35 CNC(=O)c1cc2c(Oc3ccc(C#N)cc3)cncc2s1 Homo sapiens CHEMBL818854 cell-based format
CHEMBL117279 OBDepict CH 3 O O O O N S N H O CH 3 IC50 = 120.0 nM 416.5 CNC(=O)c1cc2c(Oc3ccc(COCCOCCOC)cc3)cncc2s1 Homo sapiens CHEMBL818854 cell-based format
CHEMBL324133 OBDepict Cl O N S N O CH 3 H 3 C IC50 = 130.0 nM 332.81 CN(C)C(=O)c1cc2c(Oc3ccc(Cl)cc3)cncc2s1 Homo sapiens CHEMBL818854 cell-based format
CHEMBL119732 OBDepict CH 3 O N S O H 2 N IC50 = 140.0 nM 298.37 CCc1ccc(Oc2cncc3sc(C(N)=O)cc23)cc1 Homo sapiens CHEMBL818854 cell-based format
CHEMBL115431 OBDepict CH 3 O O O F F O N S N H O CH 3 IC50 = 170.0 nM 480.53 CCOCCOCCOCC(F)(F)c1ccc(Oc2cncc3sc(C(=O)NC)cc23)cc1 Homo sapiens CHEMBL818854 cell-based format
CHEMBL6248 OBDepict CH 3 O S O H 3 C CH 3 O H 2 N IC50 = 175.0 nM 265.33 COc1ccc2sc(C(N)=O)c(OC(C)C)c2c1 Homo sapiens CHEMBL815900 cell-based format
CHEMBL118022 OBDepict OH O N S O NH 2 IC50 = 191.0 nM 300.34 NC(=O)c1cc2c(Oc3ccc(CO)cc3)cncc2s1 Homo sapiens CHEMBL818854 cell-based format
CHEMBL119705 OBDepict CH 3 N H O S N O N N N IC50 = 240.0 nM 351.39 CNC(=O)c1cc2c(Oc3ccc(-n4cncn4)cc3)cncc2s1 Homo sapiens CHEMBL818854 cell-based format
CHEMBL119599 OBDepict Cl Br O N S O NH 2 IC50 = 330.0 nM 383.65 NC(=O)c1cc2c(Oc3ccc(Cl)cc3Br)cncc2s1 Homo sapiens CHEMBL818854 cell-based format
CHEMBL118300 OBDepict H 3 C N H O S N O O F F F IC50 = 370.0 nM 368.34 CNC(=O)c1cc2c(Oc3ccc(OC(F)(F)F)cc3)cncc2s1 Homo sapiens CHEMBL818854 cell-based format
CHEMBL115960 OBDepict CH 3 O O O O N S N H O CH 3 IC50 = 420.0 nM 470.59 CCOCCOCCOCC1(c2ccc(Oc3cncc4sc(C(=O)NC)cc34)cc2)CC1 Homo sapiens CHEMBL818854 cell-based format
CHEMBL324824 OBDepict CH 3 N H O S N O F F HO IC50 = 470.0 nM 364.37 CNC(=O)c1cc2c(Oc3ccc(C(F)(F)CO)cc3)cncc2s1 Homo sapiens CHEMBL818854 cell-based format
CHEMBL6830 OBDepict CH 3 CH 3 S N S O H 2 N IC50 = 770.0 nM 314.44 Cc1ccc(Sc2cncc3sc(C(N)=O)cc23)c(C)c1 Homo sapiens CHEMBL815900 cell-based format
CHEMBL325286 OBDepict CH 2 O N S O H 2 N IC50 = 780.0 nM 310.38 C=CCc1ccccc1Oc1cncc2sc(C(N)=O)cc12 Homo sapiens CHEMBL818854 cell-based format
CHEMBL325893 OBDepict Cl O N S O H 2 N IC50 = 850.0 nM 304.76 NC(=O)c1cc2c(Oc3cccc(Cl)c3)cncc2s1 Homo sapiens CHEMBL818854 cell-based format
CHEMBL119523 OBDepict OH N H O S N O Cl IC50 = 880.0 nM 348.81 O=C(NCCO)c1cc2c(Oc3ccc(Cl)cc3)cncc2s1 Homo sapiens CHEMBL818854 cell-based format
CHEMBL115462 OBDepict HO OH O N S O H 2 N IC50 = 930.0 nM 330.37 NC(=O)c1cc2c(Oc3ccc(C(O)CO)cc3)cncc2s1 Homo sapiens CHEMBL818854 cell-based format