HOME LIGAND hPROTEOME OTHERS DOCUMENT

Q05586 | NMDZ1_HUMAN | "Glutamate receptor ionotropic, NMDA 1" (GRIN1)

3D structures mapped by conservation among orthologs

[ Domain: "Periplasmic binding protein-like I" // ANF_receptor_3rd ]

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[ Domain: "Periplasmic binding protein-like I" // ANF_receptor_2nd ]

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[ Domain: "Voltage-gated ion channels" // Lig_chan ]

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[ Domain: "Periplasmic binding protein-like II" // SBP_bac_3_1st ]

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[ Domain: "Periplasmic binding protein-like II" // Lig_chan_1 ]

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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 Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL86313 OBDepict Br N N H N OH P H 3 C H OH O OH HO IC50 = 5.0 nM 378.12 C[C@@H](NCc1cc(Br)cc2nc(O)c(O)nc12)P(=O)(O)O Homo sapiens CHEMBL880848 single protein format
CHEMBL117260 OBDepict OH N N H N IC50 = 5.3 nM 345.45 Oc1nc2cc(C#CCN3CCC(Cc4ccccc4)CC3)ccc2[nH]1 Homo sapiens CHEMBL747072 cell-based format
CHEMBL167952 OBDepict Cl N N H N OH P H 3 C H OH O OH HO IC50 = 6.0 nM 333.67 C[C@@H](NCc1cc(Cl)cc2nc(O)c(O)nc12)P(=O)(O)O Homo sapiens CHEMBL880848 single protein format
CHEMBL19636 OBDepict F N N N H OH IC50 = 6.1 nM 363.44 Oc1nc2cc(C#CCN3CCC(Cc4cccc(F)c4)CC3)ccc2[nH]1 Homo sapiens CHEMBL747072 cell-based format
CHEMBL82963 OBDepict OH N OH N F F F N H P CH 3 H O OH OH IC50 = 8.0 nM 367.22 C[C@@H](NCc1cc(C(F)(F)F)cc2nc(O)c(O)nc12)P(=O)(O)O Homo sapiens CHEMBL880848 single protein format
CHEMBL354295 OBDepict I N N H N OH P H 3 C H OH O OH HO IC50 = 8.0 nM 425.12 C[C@@H](NCc1cc(I)cc2nc(O)c(O)nc12)P(=O)(O)O Homo sapiens CHEMBL880848 single protein format
CHEMBL19506 OBDepict F N N N H OH IC50 = 8.2 nM 363.44 Oc1nc2cc(C#CCN3CCC(Cc4ccc(F)cc4)CC3)ccc2[nH]1 Homo sapiens CHEMBL747072 cell-based format
CHEMBL162675 OBDepict F N N H N OH P H 3 C H OH O OH HO IC50 = 9.0 nM 317.21 C[C@@H](NCc1cc(F)cc2nc(O)c(O)nc12)P(=O)(O)O Homo sapiens CHEMBL880848 single protein format
CHEMBL162293 OBDepict O N H N H N Cl O HO H Cl Ki = 14.0 nM 378.22 O=C(NCc1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)Nc1ccccc1 Homo sapiens CHEMBL752321 assay format
CHEMBL116223 OBDepict SH N N H N IC50 = 16.0 nM 361.51 Sc1nc2cc(C#CCN3CCC(Cc4ccccc4)CC3)ccc2[nH]1 Homo sapiens CHEMBL747072 cell-based format
CHEMBL419399 OBDepict CH 3 N N N H HO IC50 = 17.0 nM 359.47 Cc1ccc(CC2CCN(CC#Cc3ccc4[nH]c(O)nc4c3)CC2)cc1 Homo sapiens CHEMBL747072 cell-based format
CHEMBL325825 OBDepict Cl N N N H OH IC50 = 19.0 nM 379.89 Oc1nc2cc(C#CCN3CCC(Cc4ccc(Cl)cc4)CC3)ccc2[nH]1 Homo sapiens CHEMBL747072 cell-based format
CHEMBL326742 OBDepict OH N N H N HO IC50 = 19.0 nM 361.44 Oc1nc2cc(C#CCN3CCC(O)(Cc4ccccc4)CC3)ccc2[nH]1 Homo sapiens CHEMBL747072 cell-based format
CHEMBL163034 OBDepict Cl Cl N H N O OH O N O Ki = 22.0 nM 418.24 O=C(O)c1[nH]c2cc(Cl)cc(Cl)c2c1CN1CC(=O)N(c2ccccc2)C1=O Homo sapiens CHEMBL752321 assay format
CHEMBL326568 OBDepict H 3 C O N N N H HO IC50 = 26.0 nM 375.47 COc1ccc(CC2CCN(CC#Cc3ccc4[nH]c(O)nc4c3)CC2)cc1 Homo sapiens CHEMBL747072 cell-based format
CHEMBL82626 OBDepict _ O + N O N N H N OH P H 3 C H OH O OH HO IC50 = 32.0 nM 344.22 C[C@@H](NCc1cc([N+](=O)[O-])cc2nc(O)c(O)nc12)P(=O)(O)O Homo sapiens CHEMBL880848 single protein format
CHEMBL352071 OBDepict H 3 C N O O N N Cl O HO H Cl Ki = 36.0 nM 432.26 Cc1ccc(N2C(=O)CN(Cc3c(C(=O)O)[nH]c4cc(Cl)cc(Cl)c34)C2=O)cc1 Homo sapiens CHEMBL752321 assay format
CHEMBL354692 OBDepict H 3 C N O O N N O HO H Cl Cl Ki = 45.0 nM 432.26 Cc1cccc(N2C(=O)CN(Cc3c(C(=O)O)[nH]c4cc(Cl)cc(Cl)c34)C2=O)c1 Homo sapiens CHEMBL752321 assay format
CHEMBL325890 OBDepict OH N O N IC50 = 49.0 nM 346.43 Oc1nc2ccc(C#CCN3CCC(Cc4ccccc4)CC3)cc2o1 Homo sapiens CHEMBL747072 cell-based format
CHEMBL435844 OBDepict F N O O N N Cl O HO H Cl Ki = 53.0 nM 436.23 O=C(O)c1[nH]c2cc(Cl)cc(Cl)c2c1CN1CC(=O)N(c2ccc(F)cc2)C1=O Homo sapiens CHEMBL752321 assay format
CHEMBL350654 OBDepict Cl Cl N H N O HO O N O O CH 3 Ki = 57.0 nM 460.27 CC(=O)c1cccc(N2C(=O)CN(Cc3c(C(=O)O)[nH]c4cc(Cl)cc(Cl)c34)C2=O)c1 Homo sapiens CHEMBL752321 assay format
CHEMBL351649 OBDepict Cl Cl N H N O OH O N Ki = 58.0 nM 404.25 O=C(O)c1[nH]c2cc(Cl)cc(Cl)c2c1CN1CCN(c2ccccc2)C1=O Homo sapiens CHEMBL752321 assay format
CHEMBL159739 OBDepict O HN N H S O O N Cl O HO H Cl Ki = 72.0 nM 442.28 O=C(NCc1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)NS(=O)(=O)c1ccccc1 Homo sapiens CHEMBL752321 assay format
CHEMBL164231 OBDepict N N N H N OH P H 3 C H OH O OH HO IC50 = 76.0 nM 324.23 C[C@@H](NCc1cc(C#N)cc2nc(O)c(O)nc12)P(=O)(O)O Homo sapiens CHEMBL880848 single protein format
CHEMBL349729 OBDepict Cl Cl N O O N N O HO H Cl Cl Ki = 80.0 nM 487.13 O=C(O)c1[nH]c2cc(Cl)cc(Cl)c2c1CN1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O Homo sapiens CHEMBL752321 assay format
CHEMBL164054 OBDepict Cl N O O N N O OH H Cl Cl Ki = 85.0 nM 452.68 O=C(O)c1[nH]c2cc(Cl)cc(Cl)c2c1CN1CC(=O)N(c2cccc(Cl)c2)C1=O Homo sapiens CHEMBL752321 assay format
CHEMBL117940 OBDepict OH N N H N IC50 = 89.0 nM 359.47 Oc1nc2cc(C#CCCN3CCC(Cc4ccccc4)CC3)ccc2[nH]1 Homo sapiens CHEMBL747072 cell-based format
CHEMBL162577 OBDepict CH 3 O N O O N N Cl O HO H Cl Ki = 100.0 nM 448.26 COc1ccc(N2C(=O)CN(Cc3c(C(=O)O)[nH]c4cc(Cl)cc(Cl)c34)C2=O)cc1 Homo sapiens CHEMBL752321 assay format
CHEMBL116224 OBDepict O NH N IC50 = 110.0 nM 344.46 O=C1Cc2cc(C#CCN3CCC(Cc4ccccc4)CC3)ccc2N1 Homo sapiens CHEMBL747072 cell-based format
CHEMBL163307 OBDepict Cl N O O N N Cl O HO H Cl Ki = 120.0 nM 452.68 O=C(O)c1[nH]c2cc(Cl)cc(Cl)c2c1CN1CC(=O)N(c2ccc(Cl)cc2)C1=O Homo sapiens CHEMBL752321 assay format
CHEMBL163916 OBDepict Cl Cl N H N H O OH O Ki = 120.0 nM 363.2 O=C(NCc1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)c1ccccc1 Homo sapiens CHEMBL752321 assay format
CHEMBL113697 OBDepict OH N O N IC50 = 120.0 nM 360.46 Oc1nc2ccc(C#CCCN3CCC(Cc4ccccc4)CC3)cc2o1 Homo sapiens CHEMBL747072 cell-based format
CHEMBL354003 OBDepict Cl Cl N H N O OH O N O Ki = 130.0 nM 424.28 O=C(O)c1[nH]c2cc(Cl)cc(Cl)c2c1CN1CC(=O)N(C2CCCCC2)C1=O Homo sapiens CHEMBL752321 assay format
CHEMBL162400 OBDepict Cl Cl N H N O OH O N O O H 3 C Ki = 150.0 nM 460.27 CC(=O)c1ccc(N2C(=O)CN(Cc3c(C(=O)O)[nH]c4cc(Cl)cc(Cl)c34)C2=O)cc1 Homo sapiens CHEMBL752321 assay format
CHEMBL115883 OBDepict SH N N H N IC50 = 180.0 nM 375.54 Sc1nc2cc(C#CCCN3CCC(Cc4ccccc4)CC3)ccc2[nH]1 Homo sapiens CHEMBL747072 cell-based format
CHEMBL114536 OBDepict H N N N N IC50 = 220.0 nM 344.46 C(#Cc1ccc2[nH]nnc2c1)CCN1CCC(Cc2ccccc2)CC1 Homo sapiens CHEMBL747072 cell-based format
CHEMBL324584 OBDepict H N N N IC50 = 250.0 nM 343.47 C(#Cc1ccc2[nH]ncc2c1)CCN1CCC(Cc2ccccc2)CC1 Homo sapiens CHEMBL747072 cell-based format
CHEMBL163865 OBDepict Cl Cl N H N O OH CH 3 O N O Ki = 310.0 nM 432.26 CC1C(=O)N(c2ccccc2)C(=O)N1Cc1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12 Homo sapiens CHEMBL752321 assay format
CHEMBL114823 OBDepict O NH N IC50 = 320.0 nM 358.49 O=C1Cc2cc(C#CCCN3CCC(Cc4ccccc4)CC3)ccc2N1 Homo sapiens CHEMBL747072 cell-based format
CHEMBL114644 OBDepict H N N N IC50 = 380.0 nM 329.45 C(#Cc1ccc2[nH]ncc2c1)CN1CCC(Cc2ccccc2)CC1 Homo sapiens CHEMBL747072 cell-based format
CHEMBL115761 OBDepict H N N N N IC50 = 420.0 nM 330.44 C(#Cc1ccc2[nH]nnc2c1)CN1CCC(Cc2ccccc2)CC1 Homo sapiens CHEMBL747072 cell-based format
CHEMBL163541 OBDepict Cl Cl N H N O OH S N O Ki = 580.0 nM 434.3 O=C(O)c1[nH]c2cc(Cl)cc(Cl)c2c1CN1CC(=O)N(c2ccccc2)C1=S Homo sapiens CHEMBL752321 assay format
CHEMBL164322 OBDepict Cl Cl N H N H O OH S O O Ki = 990.0 nM 399.25 O=C(O)c1[nH]c2cc(Cl)cc(Cl)c2c1CNS(=O)(=O)c1ccccc1 Homo sapiens CHEMBL752321 assay format
CHEMBL162435 OBDepict CH 3 N O O N N Cl O HO H Cl Ki = 1000.0 nM 370.19 CCN1C(=O)CN(Cc2c(C(=O)O)[nH]c3cc(Cl)cc(Cl)c23)C1=O Homo sapiens CHEMBL752321 assay format