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Q05940 | VMAT2_HUMAN | Synaptic vesicular amine transporter (SLC18A2)

3D structures mapped by conservation among orthologs



[ 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
CHEMBL579217 OBDepict F O O CH 3 N H H HO H CH 3 CH 3 Ki = 0.1 nM 365.49 COc1cc2c(cc1OCCCF)CCN1C[C@@H](CC(C)C)[C@H](O)C[C@H]21 Homo sapiens CHEMBL1044344 single protein format
CHEMBL4205254 OBDepict CH 3 O O N N F O N O H IC50 = 16.0 nM 439.49 CCOC(=O)C1CN(CCn2c(=O)[nH]c3ccccc3c2=O)CCC1c1ccc(F)cc1 Homo sapiens CHEMBL4202145 cell-based format
CHEMBL4207658 OBDepict H 3 C O O H N H N O N O H IC50 = 19.7 nM 421.5 CCOC(=O)[C@@H]1CN(CCn2c(=O)[nH]c3ccccc3c2=O)CC[C@@H]1c1ccccc1 Homo sapiens CHEMBL4202145 cell-based format
CHEMBL4206824 OBDepict H 3 C O O H 3 C N OH CH 3 H 3 C IC50 = 28.1 nM 319.45 COc1cc2c(cc1OC)C1CC(O)C(CC(C)C)CN1CC2 Homo sapiens CHEMBL4202145 cell-based format
CHEMBL4202787 OBDepict H 3 C O O H N H N F O N O H IC50 = 39.4 nM 439.49 CCOC(=O)[C@@H]1CN(CCn2c(=O)[nH]c3ccccc3c2=O)CC[C@@H]1c1ccc(F)cc1 Homo sapiens CHEMBL4202145 cell-based format
CHEMBL4205254 OBDepict CH 3 O O N N F O N O H Ki = 62.0 nM 439.49 CCOC(=O)C1CN(CCn2c(=O)[nH]c3ccccc3c2=O)CCC1c1ccc(F)cc1 Homo sapiens CHEMBL4202136 cell-based format
CHEMBL4207658 OBDepict H 3 C O O H N H N O N O H Ki = 70.0 nM 421.5 CCOC(=O)[C@@H]1CN(CCn2c(=O)[nH]c3ccccc3c2=O)CC[C@@H]1c1ccccc1 Homo sapiens CHEMBL4202136 cell-based format
CHEMBL4202787 OBDepict H 3 C O O H N H N F O N O H Ki = 74.0 nM 439.49 CCOC(=O)[C@@H]1CN(CCn2c(=O)[nH]c3ccccc3c2=O)CC[C@@H]1c1ccc(F)cc1 Homo sapiens CHEMBL4202136 cell-based format
CHEMBL213814 OBDepict H 3 C OH N CH 3 H 3 C O CH 3 O CH 3 Ki = 83.0 nM 347.5 CCC1(O)CC2c3cc(OC)c(OC)cc3CCN2CC1CC(C)C Homo sapiens CHEMBL4202136 cell-based format
CHEMBL4214975 OBDepict H 3 C O O H N H N F O N O H IC50 = 85.5 nM 439.49 CCOC(=O)[C@@H]1CN(CCn2c(=O)[nH]c3ccccc3c2=O)CC[C@H]1c1ccc(F)cc1 Homo sapiens CHEMBL4202145 cell-based format
CHEMBL4208250 OBDepict H 3 C O O H N H S N O N O H IC50 = 101.0 nM 427.53 CCOC(=O)[C@@H]1CN(CCn2c(=O)[nH]c3ccccc3c2=O)CC[C@@H]1c1cccs1 Homo sapiens CHEMBL4202145 cell-based format
CHEMBL4208779 OBDepict H 3 C O O H N H N F F F O N O H IC50 = 125.0 nM 489.49 CCOC(=O)[C@@H]1CN(CCn2c(=O)[nH]c3ccccc3c2=O)CC[C@@H]1c1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL4202145 cell-based format
CHEMBL4213176 OBDepict H 3 C O O H N H O N O O N O H IC50 = 142.0 nM 479.53 CCOC(=O)[C@@H]1CN(CCn2c(=O)[nH]c3ccccc3c2=O)CC[C@@H]1c1cccc2c1OCCO2 Homo sapiens CHEMBL4202145 cell-based format
CHEMBL4206824 OBDepict H 3 C O O H 3 C N OH CH 3 H 3 C Ki = 152.0 nM 319.45 COc1cc2c(cc1OC)C1CC(O)C(CC(C)C)CN1CC2 Homo sapiens CHEMBL4202136 cell-based format
CHEMBL213814 OBDepict H 3 C OH N CH 3 H 3 C O CH 3 O CH 3 IC50 = 154.0 nM 347.5 CCC1(O)CC2c3cc(OC)c(OC)cc3CCN2CC1CC(C)C Homo sapiens CHEMBL4202145 cell-based format
CHEMBL4214975 OBDepict H 3 C O O H N H N F O N O H Ki = 176.0 nM 439.49 CCOC(=O)[C@@H]1CN(CCn2c(=O)[nH]c3ccccc3c2=O)CC[C@H]1c1ccc(F)cc1 Homo sapiens CHEMBL4202136 cell-based format
CHEMBL51 OBDepict F O N N O N O H IC50 = 180.0 nM 395.43 O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 Homo sapiens CHEMBL4202145 cell-based format
CHEMBL51 OBDepict F O N N O N O H Ki = 353.0 nM 395.43 O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 Homo sapiens CHEMBL4202136 cell-based format
CHEMBL4208250 OBDepict H 3 C O O H N H S N O N O H Ki = 450.0 nM 427.53 CCOC(=O)[C@@H]1CN(CCn2c(=O)[nH]c3ccccc3c2=O)CC[C@@H]1c1cccs1 Homo sapiens CHEMBL4202136 cell-based format
CHEMBL4216117 OBDepict H 3 C O O H N H N H 3 C O N O H Ki = 452.0 nM 435.52 CCOC(=O)[C@@H]1CN(CCn2c(=O)[nH]c3ccccc3c2=O)CC[C@@H]1c1ccc(C)cc1 Homo sapiens CHEMBL4202144 cell-based format
CHEMBL190691 OBDepict H 3 C N H H Ki = 630.0 nM 407.6 CN1[C@H](CCc2cccc3ccccc23)CCC[C@@H]1CCc1cccc2ccccc12 Homo sapiens CHEMBL1068127 single protein format
CHEMBL4213176 OBDepict H 3 C O O H N H O N O O N O H Ki = 652.0 nM 479.53 CCOC(=O)[C@@H]1CN(CCn2c(=O)[nH]c3ccccc3c2=O)CC[C@@H]1c1cccc2c1OCCO2 Homo sapiens CHEMBL4202136 cell-based format
CHEMBL4203894 OBDepict H 3 C O O H N H N O N O F F F H Ki = 720.0 nM 489.49 CCOC(=O)[C@@H]1CN(CCn2c(=O)[nH]c3ccccc3c2=O)CC[C@@H]1c1ccc(C(F)(F)F)cc1 Homo sapiens CHEMBL4202144 cell-based format
CHEMBL333465 OBDepict H N H 3 C H Ki = 970.0 nM 307.48 CN1[C@H](CCc2ccccc2)CCC[C@@H]1CCc1ccccc1 Homo sapiens CHEMBL1068127 single protein format
CHEMBL4208779 OBDepict H 3 C O O H N H N F F F O N O H Ki = 990.0 nM 489.49 CCOC(=O)[C@@H]1CN(CCn2c(=O)[nH]c3ccccc3c2=O)CC[C@@H]1c1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL4202136 cell-based format