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P28223 | 5HT2A_HUMAN | 5-hydroxytryptamine receptor 2A (HTR2A)

3D structures mapped by conservation among orthologs

[ Domain: "Family A G protein-coupled receptor-like" // 7tm_1_3 ]

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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
CHEMBL253022 OBDepict CH 3 N H O N N N S Ki = 0.01 nM 434.61 CCC(=O)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21 Homo sapiens CHEMBL945769 cell-based format
CHEMBL252818 OBDepict H 3 C N H O N N N S Ki = 0.01 nM 420.58 CC(=O)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21 Homo sapiens CHEMBL945769 cell-based format
CHEMBL3652592 OBDepict NH 2 O N HN CH 3 N O O F IC50 = 0.025 nM 382.4 Cn1nccc1-c1cc(NC(=O)C(=O)c2ccc(F)cc2)ccc1OCCN Homo sapiens CHEMBL3705572 single protein format
CHEMBL253878 OBDepict O N H N N N S Ki = 0.04 nM 496.68 O=C(Cc1ccccc1)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21 Homo sapiens CHEMBL945769 cell-based format
CHEMBL149024 OBDepict H 3 C NH 2 O O Br Ki = 0.04 nM 294.15 CC(N)Cc1c2ccoc2c(Br)c2ccoc12 Homo sapiens CHEMBL617072 single protein format
CHEMBL83894 OBDepict F N N N S O O Ki = 0.04 nM 425.53 O=S1(=O)c2cccc3cccc(c23)N1CCCN1CCN(c2ccc(F)cc2)CC1 Homo sapiens CHEMBL617075 cell-based format
CHEMBL194455 OBDepict O N H CH 3 Cl N N N S Ki = 0.05 nM 441.0 CC1CC(=O)Nc2c(CCN3CCN(c4nsc5ccccc45)CC3)cc(Cl)cc21 Homo sapiens CHEMBL872403 cell-based format
CHEMBL504699 OBDepict F N H H N H H F Ki = 0.06 nM 312.36 Fc1ccc2c([C@@H]3CNCC[C@H]3F)c(-c3ccccc3)[nH]c2c1 Homo sapiens CHEMBL617075 cell-based format
CHEMBL1084721 OBDepict F S O O HO CH 3 Ki = 0.07 nM 382.46 CC(O)c1ccccc1S(=O)(=O)c1ccc(/C=C/c2ccc(F)cc2)cc1 Homo sapiens CHEMBL1120466 cell-based format
CHEMBL251834 OBDepict O N H O N N N N S Ki = 0.08 nM 473.6 O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)c1ccno1 Homo sapiens CHEMBL945769 cell-based format
CHEMBL328595 OBDepict CH 3 N H 3 C N H F Ki = 0.08 nM 296.39 CCN(C)CCc1c(-c2cccc(F)c2)[nH]c2ccccc12 Homo sapiens CHEMBL617061 cell-based format
CHEMBL3665544 OBDepict H 3 C O HN O N HN Cl CH 3 N O F F F IC50 = 0.082 nM 496.92 COCCNCCOc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1c(Cl)cnn1C Homo sapiens CHEMBL3705112 single protein format
CHEMBL540982 OBDepict CH 3 N CH 3 S F Ki = 0.09 nM 313.44 CN(C)CCc1sc2ccccc2c1Cc1ccc(F)cc1 Homo sapiens CHEMBL1051822 cell-based format
CHEMBL497064 OBDepict F N H H N H O N H H F Ki = 0.09 nM 355.39 O=C(Nc1ccccc1)c1[nH]c2cc(F)ccc2c1[C@@H]1CNCC[C@H]1F Homo sapiens CHEMBL617063 cell-based format
CHEMBL1774077 OBDepict O HN N O N N Ki = 0.09 nM 434.58 O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4CCCC5)CC3)nc2N1 Homo sapiens CHEMBL1776018 single protein format
CHEMBL296512 OBDepict F N H NH F Ki = 0.09 nM 312.36 Fc1ccc(-c2[nH]c3cc(F)ccc3c2C2CCCNC2)cc1 Homo sapiens CHEMBL617063 cell-based format
CHEMBL404000 OBDepict NH 2 N N N S Ki = 0.09 nM 378.55 NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21 Homo sapiens CHEMBL945769 cell-based format
CHEMBL4758966 OBDepict CH 3 O HN N N H H 3 C Cl CH 3 Ki = 0.091 nM 381.91 CCOc1ccc2c(c1)C(C1=C[C@H](C)N(C)CC1)=Nc1cc(Cl)ccc1N2 Homo sapiens CHEMBL4671574 single protein format
CHEMBL4745124 OBDepict CH 3 N H CH 3 N HN CH 3 Cl Ki = 0.094 nM 351.88 Cc1ccc2c(c1)C(C1=C[C@H](C)N(C)CC1)=Nc1cc(Cl)ccc1N2 Homo sapiens CHEMBL4671574 single protein format
CHEMBL253439 OBDepict Cl N H O N N N S Ki = 0.1 nM 517.1 O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)c1ccc(Cl)cc1 Homo sapiens CHEMBL945769 cell-based format
CHEMBL497054 OBDepict F N H H N H H F S Ki = 0.11 nM 318.39 Fc1ccc2c([C@@H]3CNCC[C@H]3F)c(-c3ccsc3)[nH]c2c1 Homo sapiens CHEMBL617063 cell-based format
CHEMBL19215 OBDepict O O N H H N CH 3 H H N CH 3 Ki = 0.113 nM 403.53 CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 Homo sapiens CHEMBL1909211 cell membrane format
CHEMBL567889 OBDepict CH 3 O N O N N H CH 3 N NH O Cl Ki = 0.12 nM 484.0 COC1CCN(CCOc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2-c2ccnn2C)CC1 Homo sapiens CHEMBL1041064 cell-based format
CHEMBL523245 OBDepict F N H H N H H F F Ki = 0.12 nM 330.35 Fc1ccc(-c2[nH]c3cc(F)ccc3c2[C@@H]2CNCC[C@H]2F)cc1 Homo sapiens CHEMBL617063 cell-based format
CHEMBL1774063 OBDepict O NH N O N N Cl Cl Ki = 0.13 nM 449.38 O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)nc2N1 Homo sapiens CHEMBL1776018 single protein format
CHEMBL90911 OBDepict H 3 C N CH 3 N H F F F Ki = 0.13 nM 346.4 CCN(C)CCc1c(-c2cccc(C(F)(F)F)c2)[nH]c2ccccc12 Homo sapiens CHEMBL617061 cell-based format
CHEMBL440389 OBDepict O N H CH 3 CH 3 N N N S Ki = 0.13 nM 420.58 Cc1ccc(CCN2CCN(c3nsc4ccccc34)CC2)c2c1C(C)CC(=O)N2 Homo sapiens CHEMBL872403 cell-based format
CHEMBL1774080 OBDepict O NH N O N N Ki = 0.14 nM 430.55 O=C1CCc2ccc(OCCCCN3CCN(c4cccc5ccccc45)CC3)nc2N1 Homo sapiens CHEMBL1776018 single protein format
CHEMBL4760903 OBDepict CH 3 HN N N H H 3 C Cl CH 3 Ki = 0.14 nM 365.91 CCc1ccc2c(c1)C(C1=C[C@H](C)N(C)CC1)=Nc1cc(Cl)ccc1N2 Homo sapiens CHEMBL4671574 single protein format
CHEMBL91549 OBDepict H 3 C N CH 3 N H Ki = 0.14 nM 278.4 CCN(C)CCc1c(-c2ccccc2)[nH]c2ccccc12 Homo sapiens CHEMBL617061 cell-based format
CHEMBL3896937 OBDepict O N H HN H N H N N N S Ki = 0.14 nM 464.64 O=C(Nc1cccnc1)N[C@H]1CC[C@H](CCN2CCN(c3nsc4ccccc34)CC2)CC1 Homo sapiens CHEMBL3872758 cell-based format
CHEMBL560741 OBDepict H 3 C N CH 3 F Ki = 0.14 nM 295.4 CN(C)CCC1=C(Cc2ccc(F)cc2)c2ccccc2C1 Homo sapiens CHEMBL1051822 cell-based format
CHEMBL4745489 OBDepict H 3 C N H H 3 C N NH O Cl F F F Ki = 0.14 nM 421.85 C[C@H]1C=C(C2=Nc3cc(Cl)ccc3Nc3ccc(OC(F)(F)F)cc32)CCN1C Homo sapiens CHEMBL4671574 single protein format
CHEMBL90837 OBDepict H 3 C N CH 3 N H + N O _ O Ki = 0.14 nM 323.4 CCN(C)CCc1c(-c2cccc([N+](=O)[O-])c2)[nH]c2ccccc12 Homo sapiens CHEMBL617061 cell-based format
CHEMBL569510 OBDepict O HN N H Cl O N H 3 C N N Ki = 0.15 nM 439.95 Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCC1 Homo sapiens CHEMBL1041064 cell-based format
CHEMBL398711 OBDepict O N H F F F N N N S Ki = 0.15 nM 474.55 O=C(NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21)C(F)(F)F Homo sapiens CHEMBL945769 cell-based format
CHEMBL3976282 OBDepict O N H S H H N N N S Ki = 0.15 nM 454.67 O=C(N[C@H]1CC[C@H](CCN2CCN(c3nsc4ccccc34)CC2)CC1)c1cccs1 Homo sapiens CHEMBL3872758 cell-based format
CHEMBL569519 OBDepict O HN N H F F O N Cl H 3 C N N O Ki = 0.15 nM 491.93 Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2ccc(F)cc2F)ccc1OCCN1CCOCC1 Homo sapiens CHEMBL1041064 cell-based format
CHEMBL85 OBDepict F O N N CH 3 N O N Ki = 0.16 nM 410.49 Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2 Homo sapiens CHEMBL617083 single protein format
CHEMBL1774076 OBDepict O NH N O N N Ki = 0.16 nM 420.56 O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4CCC5)CC3)nc2N1 Homo sapiens CHEMBL1776018 single protein format
CHEMBL197870 OBDepict O N H CH 3 F N N N S Ki = 0.17 nM 424.55 CC1CC(=O)Nc2c(CCN3CCN(c4nsc5ccccc45)CC3)cc(F)cc21 Homo sapiens CHEMBL872403 cell-based format
CHEMBL372541 OBDepict O N H 3 C CH 3 N N N S Ki = 0.17 nM 420.58 CC1CC(=O)N(C)c2c(CCN3CCN(c4nsc5ccccc45)CC3)cccc21 Homo sapiens CHEMBL872403 cell-based format
CHEMBL438980 OBDepict O HN N N N S Ki = 0.18 nM 468.63 O=C1CC(c2ccccc2)c2cccc(CCN3CCN(c4nsc5ccccc45)CC3)c2N1 Homo sapiens CHEMBL872403 cell-based format
CHEMBL90263 OBDepict H N N H CH 3 Ki = 0.18 nM 318.46 C[C@@H]1CCCCN1CCc1c(-c2ccccc2)[nH]c2ccccc12 Homo sapiens CHEMBL617061 cell-based format
CHEMBL569518 OBDepict O NH N H F F O N Br CH 3 N N Ki = 0.18 nM 520.38 Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(F)cc2F)ccc1OCCN1CCCC1 Homo sapiens CHEMBL1041064 cell-based format
CHEMBL3923240 OBDepict H 3 C O NH O H H N N N S Ki = 0.18 nM 416.59 CCOC(=O)N[C@H]1CC[C@@H](CCN2CCN(c3nsc4ccccc34)CC2)CC1 Homo sapiens CHEMBL3872758 cell-based format
CHEMBL194312 OBDepict H 3 C CH 3 N H N N N S Ki = 0.18 nM 406.6 CC1(C)CCNc2c(CCN3CCN(c4nsc5ccccc45)CC3)cccc21 Homo sapiens CHEMBL872403 cell-based format
CHEMBL568107 OBDepict O NH N H Cl O N CH 3 N N O Ki = 0.19 nM 455.95 Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCOCC1 Homo sapiens CHEMBL1041064 cell-based format
CHEMBL1774079 OBDepict O HN N O N N O Ki = 0.19 nM 436.56 O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4OCCC5)CC3)nc2N1 Homo sapiens CHEMBL1776018 single protein format
CHEMBL330303 OBDepict CH 3 N H 3 C N H F F F F F F Ki = 0.19 nM 414.39 CCN(C)CCc1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]c2ccccc12 Homo sapiens CHEMBL617061 cell-based format
CHEMBL3950977 OBDepict O N H O H H N N N S Ki = 0.19 nM 438.6 O=C(N[C@H]1CC[C@@H](CCN2CCN(c3nsc4ccccc34)CC2)CC1)c1ccco1 Homo sapiens CHEMBL3872758 cell-based format
CHEMBL240876 OBDepict F OH N S O O F Ki = 0.19 nM 373.38 O=S(=O)(c1ccc(/C=C/c2ccc(F)cc2O)nc1)c1ccccc1F Homo sapiens CHEMBL886663 cell-based format
CHEMBL1086507 OBDepict F F S O O O NH 2 Ki = 0.2 nM 399.42 NC(=O)c1cccc(S(=O)(=O)c2ccc(/C=C/c3ccc(F)cc3F)cc2)c1 Homo sapiens CHEMBL1120466 cell-based format
CHEMBL165780 OBDepict F H 2 N O N H H N O Ki = 0.2 nM 395.48 Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCO3 Homo sapiens CHEMBL617346 single protein format
CHEMBL3918755 OBDepict O N H HN H H N N N S Ki = 0.21 nM 463.65 O=C(Nc1ccccc1)N[C@H]1CC[C@H](CCN2CCN(c3nsc4ccccc34)CC2)CC1 Homo sapiens CHEMBL3872758 cell-based format
CHEMBL3891773 OBDepict H N H NH 2 N N S Ki = 0.21 nM 344.53 N[C@H]1CC[C@H](CCN2CCN(c3nsc4ccccc34)CC2)CC1 Homo sapiens CHEMBL3872758 cell-based format
CHEMBL569509 OBDepict O HN N H Cl O N H 3 C N N O Ki = 0.22 nM 469.97 Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCOCC1 Homo sapiens CHEMBL1041064 cell-based format
CHEMBL371289 OBDepict O HN CH 3 N N N S Ki = 0.22 nM 406.56 CC1CC(=O)Nc2c(CCN3CCN(c4nsc5ccccc45)CC3)cccc21 Homo sapiens CHEMBL872403 cell-based format
CHEMBL1084976 OBDepict F S O O HO CH 3 H Ki = 0.22 nM 382.46 C[C@H](O)c1ccccc1S(=O)(=O)c1ccc(/C=C/c2ccc(F)cc2)cc1 Homo sapiens CHEMBL1120466 cell-based format
CHEMBL3946995 OBDepict O N H O H H N N N S Ki = 0.23 nM 438.6 O=C(N[C@H]1CC[C@H](CCN2CCN(c3nsc4ccccc34)CC2)CC1)c1ccco1 Homo sapiens CHEMBL3872758 cell-based format
CHEMBL496860 OBDepict F N H H N H H F Ki = 0.23 nM 362.42 Fc1ccc2c([C@@H]3CNCC[C@H]3F)c(-c3ccc4ccccc4c3)[nH]c2c1 Homo sapiens CHEMBL617063 cell-based format
CHEMBL3903560 OBDepict H 3 C O NH O H H N N N S Ki = 0.24 nM 416.59 COCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nsc4ccccc34)CC2)CC1 Homo sapiens CHEMBL3872758 cell-based format
CHEMBL3920252 OBDepict O N H H H N N N S Ki = 0.24 nM 448.64 O=C(N[C@H]1CC[C@H](CCN2CCN(c3nsc4ccccc34)CC2)CC1)c1ccccc1 Homo sapiens CHEMBL3872758 cell-based format
CHEMBL507898 OBDepict F N H H N H H F Ki = 0.25 nM 318.41 Fc1ccc2c([C@@H]3CNCC[C@H]3F)c(C3CCCCC3)[nH]c2c1 Homo sapiens CHEMBL617063 cell-based format
CHEMBL252031 OBDepict CH 3 HN O N N N S Ki = 0.25 nM 434.61 CCC(=O)NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21 Homo sapiens CHEMBL945769 cell-based format
CHEMBL565322 OBDepict O NH N H F F F O N CH 3 N N Ki = 0.25 nM 487.53 Cn1nccc1-c1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCCN1CCCCC1 Homo sapiens CHEMBL1041064 cell-based format
CHEMBL3652595 OBDepict NH 2 O N HN Cl CH 3 N O F F F IC50 = 0.26 nM 444.89 Cn1ncc(Cl)c1-c1cc(NC(=O)C2CCC(C(F)(F)F)CC2)ccc1OCCN Homo sapiens CHEMBL3705572 single protein format
CHEMBL571915 OBDepict O HN N H Cl O N Cl H 3 C N N Ki = 0.26 nM 474.39 Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCC1 Homo sapiens CHEMBL1041064 cell-based format
CHEMBL91446 OBDepict H 3 C O H N N H Ki = 0.26 nM 334.46 COC[C@@H]1CCCN1CCc1c(-c2ccccc2)[nH]c2ccccc12 Homo sapiens CHEMBL617061 cell-based format
CHEMBL3948056 OBDepict CH 3 S N H O O H H N N N S Ki = 0.26 nM 498.72 Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](CCN3CCN(c4nsc5ccccc45)CC3)CC2)cc1 Homo sapiens CHEMBL3872758 cell-based format
CHEMBL363829 OBDepict F N H H 3 C CH 3 N N N S Ki = 0.28 nM 424.59 CC1(C)CCNc2c(CCN3CCN(c4nsc5ccccc45)CC3)cc(F)cc21 Homo sapiens CHEMBL872403 cell-based format
CHEMBL371628 OBDepict O N H CH 3 F N N N O Ki = 0.28 nM 408.48 CC1CC(=O)Nc2c(CCN3CCN(c4noc5ccccc45)CC3)cc(F)cc21 Homo sapiens CHEMBL872403 cell-based format
CHEMBL569475 OBDepict O HN N H Cl O N Br H 3 C N N Ki = 0.28 nM 518.84 Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCC1 Homo sapiens CHEMBL1041064 cell-based format
CHEMBL1774086 OBDepict O NH N O N N F Ki = 0.28 nM 448.54 O=C1CCc2ccc(OCCCCN3CCN(c4cccc5ccc(F)cc45)CC3)nc2N1 Homo sapiens CHEMBL1776018 single protein format
CHEMBL198599 OBDepict O N H CH 3 CH 3 N N N O Ki = 0.28 nM 404.51 Cc1cc(CCN2CCN(c3noc4ccccc34)CC2)c2c(c1)C(C)CC(=O)N2 Homo sapiens CHEMBL872403 cell-based format
CHEMBL566151 OBDepict O NH N H F F O N Cl CH 3 N N Ki = 0.28 nM 475.93 Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2ccc(F)cc2F)ccc1OCCN1CCCC1 Homo sapiens CHEMBL1041064 cell-based format
CHEMBL371903 OBDepict O N H N N N S Ki = 0.28 nM 392.53 O=C1CCc2cccc(CCN3CCN(c4nsc5ccccc45)CC3)c2N1 Homo sapiens CHEMBL872403 cell-based format
CHEMBL3892440 OBDepict H N H N H S O O CH 3 N N S Ki = 0.28 nM 422.62 CS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(c3nsc4ccccc34)CC2)CC1 Homo sapiens CHEMBL3872758 cell-based format
CHEMBL3967779 OBDepict O N H N H H N N N S Ki = 0.29 nM 449.62 O=C(N[C@H]1CC[C@H](CCN2CCN(c3nsc4ccccc34)CC2)CC1)c1cccnc1 Homo sapiens CHEMBL3872758 cell-based format
CHEMBL69700 OBDepict CH 3 O Br O NH 2 CH 3 H CH 3 Ki = 0.29 nM 274.16 COc1cc(C[C@@H](C)N)c(OC)cc1Br Homo sapiens CHEMBL994216 cell-based format
CHEMBL3938210 OBDepict O N H N H H H N N N S Ki = 0.29 nM 437.61 O=C(N[C@H]1CC[C@H](CCN2CCN(c3nsc4ccccc34)CC2)CC1)c1ccc[nH]1 Homo sapiens CHEMBL3872758 cell-based format
CHEMBL370659 OBDepict F N CH 3 N O CH 3 N N O Ki = 0.29 nM 436.53 CC(=O)N1CCC(C)c2cc(F)cc(CCN3CCN(c4noc5ccccc45)CC3)c21 Homo sapiens CHEMBL872403 cell-based format
CHEMBL253024 OBDepict O N H N N N S Ki = 0.3 nM 446.62 O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)C1CC1 Homo sapiens CHEMBL945769 cell-based format
CHEMBL62919 OBDepict F O N N S N O H Ki = 0.3 nM 411.5 O=C(c1ccc(F)cc1)C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1 Homo sapiens CHEMBL617073 single protein format
CHEMBL354005 OBDepict F H 2 N O N H H N S Ki = 0.3 nM 411.55 Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCS3 Homo sapiens CHEMBL617346 single protein format
CHEMBL369913 OBDepict H 3 C N O CH 3 N N N S Ki = 0.3 nM 434.61 CC(=O)N1CCC(C)c2cccc(CCN3CCN(c4nsc5ccccc45)CC3)c21 Homo sapiens CHEMBL872403 cell-based format
CHEMBL2387229 OBDepict F O N N O Cl O CH 3 O Ki = 0.3 nM 484.96 Cc1cc(=O)oc2c(Cl)c(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc12 Homo sapiens CHEMBL4821055 single protein format
CHEMBL3966842 OBDepict H N H N H S O O S N N S Ki = 0.3 nM 490.72 O=S(=O)(N[C@H]1CC[C@H](CCN2CCN(c3nsc4ccccc34)CC2)CC1)c1cccs1 Homo sapiens CHEMBL3872758 cell-based format
CHEMBL3883955 OBDepict F O N N O N N O F F Ki = 0.3 nM 484.48 O=c1ccc(OCCCN2CCC(c3noc4cc(F)ccc34)CC2)nn1-c1c(F)cccc1F Homo sapiens CHEMBL4821055 single protein format
CHEMBL91197 OBDepict CH 3 N H 3 C N H F Ki = 0.3 nM 296.39 CCN(C)CCc1c(-c2ccccc2F)[nH]c2ccccc12 Homo sapiens CHEMBL617061 cell-based format
CHEMBL708 OBDepict O N H Cl N N N S Ki = 0.3 nM 412.95 O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1 Homo sapiens CHEMBL617083 single protein format
CHEMBL177401 OBDepict F F N F S O O F Ki = 0.3 nM 401.43 O=S(=O)(c1cccc(F)c1)C1(F)CCN(CCc2ccc(F)cc2F)CC1 Homo sapiens CHEMBL828082 single protein format
CHEMBL74355 OBDepict CH 3 O O H 3 C OH H N F Ki = 0.31 nM 373.47 COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC Homo sapiens CHEMBL617075 cell-based format
CHEMBL576055 OBDepict O NH N H F F O N Cl CH 3 N N O Ki = 0.31 nM 491.93 Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2cc(F)cc(F)c2)ccc1OCCN1CCOCC1 Homo sapiens CHEMBL1041064 cell-based format
CHEMBL199182 OBDepict Cl N CH 3 N O CH 3 N N S Ki = 0.31 nM 469.05 CC(=O)N1CCC(C)c2cc(Cl)cc(CCN3CCN(c4nsc5ccccc45)CC3)c21 Homo sapiens CHEMBL872403 cell-based format
CHEMBL177416 OBDepict F F N F S O O F Ki = 0.32 nM 401.43 O=S(=O)(c1ccccc1F)C1(F)CCN(CCc2ccc(F)cc2F)CC1 Homo sapiens CHEMBL828082 single protein format
CHEMBL3932186 OBDepict Cl S N N N H H N H O O Ki = 0.32 nM 473.04 O=C(NC[C@H]1CC[C@H](CN2CCN(c3nsc4cc(Cl)ccc34)CC2)CC1)c1ccco1 Homo sapiens CHEMBL3872758 cell-based format
CHEMBL197663 OBDepict CH 3 N O CH 3 CH 3 N N N O Ki = 0.32 nM 432.57 CC(=O)N1CCC(C)c2c(C)ccc(CCN3CCN(c4noc5ccccc45)CC3)c21 Homo sapiens CHEMBL872403 cell-based format
CHEMBL252030 OBDepict CH 3 N H O N N N S Ki = 0.33 nM 420.58 CC(=O)NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21 Homo sapiens CHEMBL945769 cell-based format
CHEMBL3597635 OBDepict O N H N N N Ki = 0.33 nM 438.58 O=C(NCCCCN1CCN(c2cccc3ccccc23)CC1)c1cnc2ccccc2c1 Homo sapiens CHEMBL3599950 single protein format