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P21728 | DRD1_HUMAN | D(1A) dopamine receptor (DRD1)

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
CHEMBL1814790 OBDepict CH 3 N H Cl HO OH O O OH Ki = 0.11 nM 403.86 CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1.O=C(O)/C=CC(=O)O Homo sapiens CHEMBL2395700 single protein format
CHEMBL3039528 OBDepict Cl H N H N H 3 C CH 3 CH 3 Ki = 0.13 nM 354.93 CN1CCN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CC1(C)C Homo sapiens CHEMBL4671578 single protein format
CHEMBL1256645 OBDepict CH 3 N H Cl HO ClH Ki = 0.17 nM 324.25 CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1.Cl Homo sapiens CHEMBL672090 single protein format
CHEMBL599528 OBDepict CH 3 N H H Cl OH Ki = 0.2 nM 389.93 CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4ccccc4)c3CC[C@@H]21 Homo sapiens CHEMBL1074769 cell-based format
CHEMBL596824 OBDepict CH 3 N H Cl OH N O CH 3 Ki = 0.2 nM 412.96 CC(=O)N(Cc1ccc([C@H]2CN(C)CCc3cc(Cl)c(O)cc32)cc1)C1CCC1 Homo sapiens CHEMBL1073807 single protein format
CHEMBL4758723 OBDepict H 3 C N H H 3 C N NH F Cl Ki = 0.2 nM 355.84 C[C@H]1C=C(C2=Nc3cc(Cl)ccc3Nc3ccc(F)cc32)CCN1C Homo sapiens CHEMBL4671578 single protein format
CHEMBL599135 OBDepict H 3 C N H H Cl OH N O Ki = 0.2 nM 446.98 CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(/C=N/OCc4ccccc4)c3CC[C@@H]21 Homo sapiens CHEMBL1074769 cell-based format
CHEMBL4128926 OBDepict OH O H H N H O N S S HN O O CH 3 CH 3 CH 3 IC50 = 0.21 nM 583.78 CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 Homo sapiens CHEMBL4121475 single protein format
CHEMBL1814790 OBDepict CH 3 N H Cl HO OH O O OH IC50 = 0.22 nM 403.86 CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1.O=C(O)/C=CC(=O)O Homo sapiens CHEMBL2395589 single protein format
CHEMBL605127 OBDepict CH 3 N H H Cl OH N Ki = 0.3 nM 390.91 CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4ccncc4)c3CC[C@@H]21 Homo sapiens CHEMBL1074769 cell-based format
CHEMBL62 OBDepict CH 3 N H Cl HO Ki = 0.3 nM 287.79 CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 Homo sapiens CHEMBL668635 single protein format
CHEMBL324017 OBDepict H 3 C N Br HO Ki = 0.3 nM 332.24 CN1CCc2cc(Br)c(O)cc2C(c2ccccc2)C1 Homo sapiens CHEMBL872877 tissue-based format
CHEMBL300647 OBDepict Cl N H 3 C CH 3 Ki = 0.3 nM 335.88 CN(C)C1C=CC2(CC1)c1ccccc1C=Cc1ccc(Cl)cc12 Homo sapiens CHEMBL668634 single protein format
CHEMBL13668 OBDepict H 3 C N Cl HO IC50 = 0.31 nM 287.79 CN1CCc2cc(Cl)c(O)cc2C(c2ccccc2)C1 Homo sapiens CHEMBL3779712 cell-based format
CHEMBL45491 OBDepict Cl N H 3 C CH 3 Ki = 0.33 nM 337.89 CN(C)C1C=CC2(CC1)c1ccccc1CCc1ccc(Cl)cc12 Homo sapiens CHEMBL668634 single protein format
CHEMBL201170 OBDepict CH 3 N OH Ki = 0.39 nM 267.37 CN1CCc2ccccc2Cc2ccc(O)cc2CC1 Homo sapiens CHEMBL861434 single protein format
CHEMBL1204122 OBDepict CH 3 N HO BrH Ki = 0.39 nM 348.28 Br.CN1CCc2ccccc2Cc2ccc(O)cc2CC1 Homo sapiens CHEMBL859834 cell-based format
CHEMBL598104 OBDepict F H H N H 3 C HO Cl Ki = 0.4 nM 407.92 CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4cccc(F)c4)c3CC[C@@H]21 Homo sapiens CHEMBL1074769 cell-based format
CHEMBL304535 OBDepict H 3 C N H Cl H 3 C OH Ki = 0.4 nM 301.82 Cc1cccc([C@H]2CN(C)CCc3cc(Cl)c(O)cc32)c1 Homo sapiens CHEMBL668635 single protein format
CHEMBL380464 OBDepict CH 3 N Cl HO Ki = 0.46 nM 301.82 CN1CCc2ccccc2Cc2c(ccc(O)c2Cl)CC1 Homo sapiens CHEMBL861434 single protein format
CHEMBL4756254 OBDepict CH 3 N H CH 3 N HN Cl H 3 C Ki = 0.48 nM 351.88 Cc1ccc2c(c1)N=C(C1=C[C@H](C)N(C)CC1)c1cc(Cl)ccc1N2 Homo sapiens CHEMBL4671578 single protein format
CHEMBL597909 OBDepict H 3 C N H H Cl OH N H S O O CH 3 Ki = 0.5 nM 406.94 CN1CCc2cc(Cl)c(O)cc2[C@H]2c3ccc(NS(C)(=O)=O)cc3CC[C@@H]21 Homo sapiens CHEMBL1073807 single protein format
CHEMBL603901 OBDepict CH 3 N H Cl HO N S H 3 C O O H 3 C Ki = 0.5 nM 408.95 CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccc(CN(C)S(C)(=O)=O)cc2)C1 Homo sapiens CHEMBL1073807 single protein format
CHEMBL599282 OBDepict CH 3 N H Cl HO N S O O CH 3 Ki = 0.5 nM 449.02 CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccc(CN(C3CCC3)S(C)(=O)=O)cc2)C1 Homo sapiens CHEMBL1073807 single protein format
CHEMBL245570 OBDepict CH 3 N N H HO Ki = 0.56 nM 306.41 CN1CCc2ccccc2Cc2[nH]c3ccc(O)cc3c2CC1 Homo sapiens CHEMBL885886 cell-based format
CHEMBL3697581 OBDepict CH 3 O CH 3 N H 3 C N N O I H Ki = 0.571 nM 433.25 Cc1cc(Oc2ncccc2I)ccc1-c1c(C)n[nH]c(=O)c1C Homo sapiens CHEMBL3706100 assay format
CHEMBL1744079 OBDepict CH 3 N H Br HO ClH Ki = 0.58 nM 368.7 CN1CCc2cc(Br)c(O)cc2[C@@H](c2ccccc2)C1.Cl Homo sapiens CHEMBL672090 single protein format
CHEMBL598105 OBDepict N H H N H 3 C HO Cl Ki = 0.6 nM 414.94 CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4cccc(C#N)c4)c3CC[C@@H]21 Homo sapiens CHEMBL1074769 cell-based format
CHEMBL605339 OBDepict OH Cl H H N CH 3 + N O _ O Ki = 0.6 nM 434.92 CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4cccc([N+](=O)[O-])c4)c3CC[C@@H]21 Homo sapiens CHEMBL1074769 cell-based format
CHEMBL604314 OBDepict H 3 C N H H Cl HO HO Ki = 0.6 nM 329.83 CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(O)c3CC[C@@H]21 Homo sapiens CHEMBL1074769 cell-based format
CHEMBL599487 OBDepict H 3 C N H Cl OH N S H 3 C O O Ki = 0.6 nM 471.02 CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccc(CN(C)S(=O)(=O)c3ccccc3)cc2)C1 Homo sapiens CHEMBL1073807 single protein format
CHEMBL597503 OBDepict CH 3 N H H Cl OH N H Ki = 0.6 nM 428.96 CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4ccc5[nH]ccc5c4)c3CC[C@@H]21 Homo sapiens CHEMBL1074769 cell-based format
CHEMBL62 OBDepict CH 3 N H Cl HO IC50 = 0.66 nM 287.79 CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 Homo sapiens CHEMBL881983 single protein format
CHEMBL603872 OBDepict CH 3 O H H N CH 3 OH Cl Ki = 0.7 nM 419.95 COc1ccc(-c2cccc3c2CC[C@H]2[C@H]3c3cc(O)c(Cl)cc3CCN2C)cc1 Homo sapiens CHEMBL1074769 cell-based format
CHEMBL604176 OBDepict OH H H N CH 3 OH Cl Ki = 0.7 nM 419.95 CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4ccc(CO)cc4)c3CC[C@@H]21 Homo sapiens CHEMBL1074769 cell-based format
CHEMBL597310 OBDepict CH 3 N CH 3 H H N CH 3 OH Cl Ki = 0.7 nM 433.0 CN(C)c1ccc(-c2cccc3c2CC[C@H]2[C@H]3c3cc(O)c(Cl)cc3CCN2C)cc1 Homo sapiens CHEMBL1074769 cell-based format
CHEMBL599977 OBDepict O N H N H Cl Cl H H N H 3 C HO Cl Ki = 0.7 nM 516.86 CN1CCc2cc(Cl)c(O)cc2[C@H]2c3ccc(NC(=O)Nc4c(Cl)cccc4Cl)cc3CC[C@@H]21 Homo sapiens CHEMBL1073807 single protein format
CHEMBL600986 OBDepict CH 3 S NH O O H H N CH 3 OH Cl Ki = 0.7 nM 420.96 CCS(=O)(=O)Nc1ccc2c(c1)CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C Homo sapiens CHEMBL1073807 single protein format
CHEMBL597702 OBDepict CH 3 N H Cl HO N F F Ki = 0.7 nM 519.04 CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccc(CN(Cc3ccccc3)c3ccc(F)cc3F)cc2)C1 Homo sapiens CHEMBL1073807 single protein format
CHEMBL444321 OBDepict H 3 C N H CH 3 Cl OH Ki = 0.8 nM 301.82 Cc1ccccc1[C@H]1CN(C)CCc2cc(Cl)c(O)cc21 Homo sapiens CHEMBL668635 single protein format
CHEMBL396560 OBDepict CH 3 O N H N CH 3 Ki = 0.82 nM 320.44 COc1ccc2[nH]c3c(c2c1)CCN(C)CCc1ccccc1C3 Homo sapiens CHEMBL885886 cell-based format
CHEMBL203637 OBDepict CH 3 N Cl OH Ki = 0.83 nM 301.82 CN1CCc2ccccc2Cc2ccc(O)c(Cl)c2CC1 Homo sapiens CHEMBL861434 single protein format
CHEMBL597100 OBDepict F F H H N H 3 C HO Cl Ki = 0.9 nM 425.91 CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4cc(F)cc(F)c4)c3CC[C@@H]21 Homo sapiens CHEMBL1074769 cell-based format
CHEMBL543398 OBDepict CH 3 N Cl HO OH BrH Ki = 0.9 nM 384.7 Br.CN1CCc2c(cc(O)c(O)c2Cl)C(c2ccccc2)C1 Homo sapiens CHEMBL672092 single protein format
CHEMBL597900 OBDepict H 3 C N H H Cl HO S Ki = 0.9 nM 395.95 CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4cccs4)c3CC[C@@H]21 Homo sapiens CHEMBL1074769 cell-based format
CHEMBL543473 OBDepict H 2 C N Br HO ClH Ki = 0.9 nM 394.74 C=CCN1CCc2cc(Br)c(O)cc2C(c2ccccc2)C1.Cl Homo sapiens CHEMBL672090 single protein format
CHEMBL596622 OBDepict H 3 C N H Cl OH NH Ki = 0.9 nM 370.92 CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccc(CNC3CCC3)cc2)C1 Homo sapiens CHEMBL1073807 single protein format
CHEMBL4795230 OBDepict H 3 C N H H 3 C N NH Cl Cl Ki = 0.9 nM 372.3 C[C@H]1C=C(C2=Nc3cc(Cl)ccc3Nc3ccc(Cl)cc32)CCN1C Homo sapiens CHEMBL4671578 single protein format
CHEMBL2158641 OBDepict OH O OH HO O HO CH 3 N H Cl HO Ki = 0.94 nM 435.86 CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1.O=C(O)/C(O)=C(/O)C(=O)O Homo sapiens CHEMBL2162510 cell-based format
CHEMBL605354 OBDepict CH 3 N H H Cl HO N O Ki = 1.0 nM 432.95 CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(/C=N/Oc4ccccc4)c3CC[C@@H]21 Homo sapiens CHEMBL1074769 cell-based format
CHEMBL542700 OBDepict OH HO N H ClH Ki = 1.1 nM 291.78 Cl.Oc1cc2c(cc1O)C(c1ccccc1)CNCC2 Homo sapiens CHEMBL672091 single protein format
CHEMBL4742056 OBDepict N NH N N H CH 3 Cl H 3 C Ki = 1.1 nM 362.86 C[C@H]1C=C(C2=Nc3cc(Cl)ccc3Nc3ccc(C#N)cc32)CCN1C Homo sapiens CHEMBL4671578 single protein format
CHEMBL520992 OBDepict CH 3 N Cl HO CH 3 OH BrH Ki = 1.18 nM 398.73 Br.Cc1cccc(C2CN(C)CCc3c2cc(O)c(O)c3Cl)c1 Homo sapiens CHEMBL993383 cell-based format
CHEMBL554009 OBDepict CH 3 N Br HO OH BrH Ki = 1.2 nM 429.15 Br.CN1CCc2c(cc(O)c(O)c2Br)C(c2ccccc2)C1 Homo sapiens CHEMBL672092 single protein format
CHEMBL543704 OBDepict H 2 C N Cl HO ClH Ki = 1.2 nM 350.29 C=CCN1CCc2cc(Cl)c(O)cc2C(c2ccccc2)C1.Cl Homo sapiens CHEMBL672090 single protein format
CHEMBL13668 OBDepict H 3 C N Cl HO Ki = 1.2 nM 287.79 CN1CCc2cc(Cl)c(O)cc2C(c2ccccc2)C1 Homo sapiens CHEMBL2343280 cell-based format
CHEMBL3921278 OBDepict H 3 C O OH N Br H OH O H 3 C Ki = 1.3 nM 420.3 CCOc1c(O)cc(Br)c2c1CN1CCc3cc(OC)c(O)cc3[C@@H]1C2 Homo sapiens CHEMBL3877883 cell-based format
CHEMBL4760903 OBDepict CH 3 HN N N H H 3 C Cl CH 3 Ki = 1.4 nM 365.91 CCc1ccc2c(c1)C(C1=C[C@H](C)N(C)CC1)=Nc1cc(Cl)ccc1N2 Homo sapiens CHEMBL4671578 single protein format
CHEMBL603485 OBDepict CH 3 O HN O H H N H 3 C HO Cl Ki = 1.4 nM 400.91 CCOC(=O)Nc1ccc2c(c1)CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C Homo sapiens CHEMBL1073807 single protein format
CHEMBL600987 OBDepict CH 3 HN HN O H H N H 3 C HO Cl Ki = 1.5 nM 399.92 CCNC(=O)Nc1ccc2c(c1)CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C Homo sapiens CHEMBL1073807 single protein format
CHEMBL425069 OBDepict H 3 C O N H O O N CH 3 N N Cl N H 3 C Ki = 1.6 nM 506.01 COc1cccc(OC)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21 Homo sapiens CHEMBL870467 cell-based format
CHEMBL4740880 OBDepict Cl NH N N H CH 3 H 3 C Ki = 1.6 nM 337.85 C[C@H]1C=C(C2=Nc3ccccc3Nc3ccc(Cl)cc32)CCN1C Homo sapiens CHEMBL4671578 single protein format
CHEMBL303012 OBDepict H 3 C N H Cl OH H 3 C Ki = 1.6 nM 301.82 Cc1ccc([C@H]2CN(C)CCc3cc(Cl)c(O)cc32)cc1 Homo sapiens CHEMBL668635 single protein format
CHEMBL604732 OBDepict HO N H H N H 3 C HO Cl Ki = 1.6 nM 356.85 CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(/C=N/O)c3CC[C@@H]21 Homo sapiens CHEMBL1074769 cell-based format
CHEMBL604525 OBDepict CH 3 O N H H N CH 3 OH Cl Ki = 1.8 nM 384.91 CCO/N=C/c1cccc2c1CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C Homo sapiens CHEMBL1074769 cell-based format
CHEMBL3671278 OBDepict H N N N O CH 3 N CH 3 CH 3 O N O H Ki = 1.83 nM 363.38 Cc1cc(Oc2nccc3n[nH]cc23)ccc1-c1c(C)c(=O)[nH]c(=O)n1C Homo sapiens CHEMBL3705955 assay format
CHEMBL441618 OBDepict CH 3 N N H Ki = 1.9 nM 290.41 CN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1 Homo sapiens CHEMBL861434 single protein format
CHEMBL298406 OBDepict H 3 C N H H Cl HO Ki = 1.9 nM 313.83 CN1CCc2cc(Cl)c(O)cc2[C@H]2c3ccccc3CC[C@@H]21 Homo sapiens CHEMBL668636 single protein format
CHEMBL574558 OBDepict CH 3 N Cl HO CH 3 OH Ki = 1.93 nM 317.82 Cc1cccc(C2CN(C)CCc3c2cc(O)c(O)c3Cl)c1 Homo sapiens CHEMBL1041329 cell-based format
CHEMBL4745489 OBDepict H 3 C N H H 3 C N NH O Cl F F F Ki = 2.0 nM 421.85 C[C@H]1C=C(C2=Nc3cc(Cl)ccc3Nc3ccc(OC(F)(F)F)cc32)CCN1C Homo sapiens CHEMBL4671578 single protein format
CHEMBL2335736 OBDepict CH 3 O OH N H HO O F F F Ki = 2.0 nM 409.4 COc1cc2c(cc1O)[C@H]1C[C@@](O)(c3ccc(OC(F)(F)F)cc3)CCN1CC2 Homo sapiens CHEMBL2346211 cell-based format
CHEMBL245764 OBDepict CH 3 O N H 3 C N CH 3 Ki = 2.0 nM 334.46 COc1ccc2c(c1)c1c(n2C)Cc2ccccc2CCN(C)CC1 Homo sapiens CHEMBL885886 cell-based format
CHEMBL4757297 OBDepict CH 3 O HN N N H H 3 C Cl CH 3 Ki = 2.0 nM 367.88 COc1ccc2c(c1)C(C1=C[C@H](C)N(C)CC1)=Nc1cc(Cl)ccc1N2 Homo sapiens CHEMBL4671578 single protein format
CHEMBL599116 OBDepict OH H H N H 3 C HO Cl Ki = 2.0 nM 343.85 CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(CO)c3CC[C@@H]21 Homo sapiens CHEMBL1074769 cell-based format
CHEMBL381936 OBDepict CH 3 N HO OH Ki = 2.0 nM 283.37 CN1CCc2cc(O)ccc2Cc2ccc(O)cc2CC1 Homo sapiens CHEMBL861434 single protein format
CHEMBL379942 OBDepict H 3 C N N N N Cl N H Cl O H 3 C Ki = 2.0 nM 494.43 Cc1ccccc1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2cc(Cl)ccc21 Homo sapiens CHEMBL911523 cell-based format
CHEMBL604108 OBDepict CH 3 N H Cl HO HN Ki = 2.0 nM 392.93 CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccc(CNc3ccccc3)cc2)C1 Homo sapiens CHEMBL1073807 single protein format
CHEMBL216258 OBDepict H 3 C N N H Ki = 2.2 nM 304.44 CN1CCCc2ccccc2Cc2[nH]c3ccccc3c2CC1 Homo sapiens CHEMBL908356 cell-based format
CHEMBL3976659 OBDepict CH 3 O OH N Br H OH O CH 3 Ki = 2.2 nM 434.33 CCCOc1c(O)cc(Br)c2c1CN1CCc3cc(OC)c(O)cc3[C@@H]1C2 Homo sapiens CHEMBL3877883 cell-based format
CHEMBL598516 OBDepict CH 3 N H H Cl HO N H O Ki = 2.3 nM 396.92 CN1CCc2cc(Cl)c(O)cc2[C@H]2c3ccc(NC(=O)C4CC4)cc3CC[C@@H]21 Homo sapiens CHEMBL1073807 single protein format
CHEMBL3905947 OBDepict H 3 C O HO N Br H OH O CH 3 Ki = 2.3 nM 448.36 CCCCOc1c(O)cc(Br)c2c1CN1CCc3cc(OC)c(O)cc3[C@@H]1C2 Homo sapiens CHEMBL3877883 cell-based format
CHEMBL8514 OBDepict H N OH CH 3 H 3 C CH 3 H Ki = 2.3 nM 361.53 CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc(c43)[C@@H]2C1 Homo sapiens CHEMBL3783164 single protein format
CHEMBL601634 OBDepict CH 3 N H O H H N CH 3 OH Cl Ki = 2.3 nM 384.91 CCC(=O)Nc1cccc2c1CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C Homo sapiens CHEMBL1073807 single protein format
CHEMBL604383 OBDepict OH Cl H H N CH 3 O F F F Ki = 2.3 nM 473.92 CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4cccc(OC(F)(F)F)c4)c3CC[C@H]21 Homo sapiens CHEMBL1074769 cell-based format
CHEMBL4745124 OBDepict CH 3 N H CH 3 N HN CH 3 Cl Ki = 2.3 nM 351.88 Cc1ccc2c(c1)C(C1=C[C@H](C)N(C)CC1)=Nc1cc(Cl)ccc1N2 Homo sapiens CHEMBL4671578 single protein format
CHEMBL598730 OBDepict CH 3 O O H H N CH 3 OH Cl Ki = 2.3 nM 371.86 COC(=O)c1cccc2c1CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C Homo sapiens CHEMBL1074769 cell-based format
CHEMBL321042 OBDepict H 3 C N Br HO H 2 N Ki = 2.3 nM 347.26 CN1CCc2cc(Br)c(O)cc2C(c2ccc(N)cc2)C1 Homo sapiens CHEMBL674897 tissue-based format
CHEMBL4453318 OBDepict CH 3 O N H 3 C CH 3 N O N O H O Ki = 2.4 nM 363.37 Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)c(=O)[nH]c(=O)n1C Homo sapiens CHEMBL4433967 cell-based format
CHEMBL4797375 OBDepict CH 3 N H CH 3 N HN O H 3 C F F F Ki = 2.4 nM 401.43 Cc1ccc2c(c1)N=C(C1=C[C@H](C)N(C)CC1)c1cc(OC(F)(F)F)ccc1N2 Homo sapiens CHEMBL4671578 single protein format
CHEMBL604132 OBDepict CH 3 NH HN O H H N H 3 C HO Cl Ki = 2.4 nM 399.92 CCNC(=O)Nc1cccc2c1CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C Homo sapiens CHEMBL1073807 single protein format
CHEMBL213492 OBDepict CH 3 N N N N N H Cl O F F F F Ki = 2.5 nM 531.94 CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3c(F)cccc3C(F)(F)F)c3ccccc32)CC1 Homo sapiens CHEMBL870467 cell-based format
CHEMBL2057455 OBDepict CH 3 O O H 3 C N H OH O H 3 C Ki = 2.53 nM 341.41 COc1cc2c(c(OC)c1)CN1CCc3cc(OC)c(O)cc3[C@@H]1C2 Homo sapiens CHEMBL2060920 cell-based format
CHEMBL378669 OBDepict CH 3 N N N N N H Cl O NH 2 Cl Ki = 2.6 nM 495.41 CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3c(N)cccc3Cl)c3ccccc32)CC1 Homo sapiens CHEMBL870467 cell-based format
CHEMBL604316 OBDepict O H H N H 3 C HO Cl Ki = 2.6 nM 341.84 CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(C=O)c3CC[C@@H]21 Homo sapiens CHEMBL1074769 cell-based format
CHEMBL591685 OBDepict H 3 C N H H Cl H 2 N HO Ki = 2.8 nM 328.84 CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(N)c3CC[C@@H]21 Homo sapiens CHEMBL1073807 single protein format
CHEMBL604127 OBDepict N H H N H 3 C HO Cl Ki = 2.8 nM 338.84 CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(C#N)c3CC[C@@H]21 Homo sapiens CHEMBL1074769 cell-based format
CHEMBL1255588 OBDepict H N OH CH 3 H 3 C CH 3 H Ki = 2.84 nM 361.53 CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@H]2C1 Homo sapiens CHEMBL4822006 single protein format
CHEMBL213336 OBDepict CH 3 N N N N N H Cl O CH 3 CH 3 Ki = 3.0 nM 474.01 Cc1cccc(C)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21 Homo sapiens CHEMBL870467 cell-based format
CHEMBL34095 OBDepict H 2 C N H Br OH OH Ki = 3.0 nM 374.28 C=CCN1CCc2c(cc(O)c(O)c2Br)[C@@H](c2ccccc2)C1 Homo sapiens CHEMBL674898 single protein format
CHEMBL213793 OBDepict H 3 C N N N N N H Cl O CH 3 Ki = 3.0 nM 459.98 Cc1cccc(C(=O)NN2c3ccc(Cl)cc3N=C(N3CCN(C)CC3)c3ccccc32)c1 Homo sapiens CHEMBL870467 cell-based format