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P11086 | PNMT_HUMAN | Phenylethanolamine N-methyltransferase (PNMT)

3D structures mapped by conservation among orthologs

[ Domain: "S-adenosyl-L-methionine-dependent methyltransferases" // NNMT_PNMT_TEMT ]

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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
CHEMBL4764318 OBDepict NH 2 N N N N H O H OH H H OH S N H N H Ki = 2.1 nM 485.61 Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNCC2Cc3ccccc3CN2)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4705014 assay format
CHEMBL287837 OBDepict Cl Cl HN Ki = 3.0 nM 202.08 Clc1ccc2c(c1Cl)CNCC2 Homo sapiens CHEMBL759765 single protein format
CHEMBL541797 OBDepict Cl Cl HN ClH Ki = 3.0 nM 238.54 Cl.Clc1ccc2c(c1Cl)CNCC2 Homo sapiens CHEMBL759764 single protein format
CHEMBL4751862 OBDepict Cl HN N H S H O H HO H N H HO N N N NH 2 Ki = 3.2 nM 506.03 Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNCC2Cc3ccc(Cl)cc3CN2)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4705014 assay format
CHEMBL4782649 OBDepict Cl N H N H S H O H HO H N H HO N N N NH 2 Ki = 3.3 nM 520.06 Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNCC2Cc3ccc(Cl)cc3CN2)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4705014 assay format
CHEMBL4760727 OBDepict NH 2 N N N N H O H OH H H OH S N H N H + N O _ O Ki = 3.5 nM 530.61 Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNCC2Cc3ccc([N+](=O)[O-])cc3CN2)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4705014 assay format
CHEMBL4800292 OBDepict NH 2 N N N N H O H OH H H HO S HN N H + N O _ O Ki = 3.8 nM 516.58 Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNCC2Cc3ccc([N+](=O)[O-])cc3CN2)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4705014 assay format
CHEMBL4754656 OBDepict NH 2 N N N N H O H OH H H HO S HN N H Ki = 3.9 nM 499.64 Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCCNCC2Cc3ccccc3CN2)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4705014 assay format
CHEMBL287837 OBDepict Cl Cl HN IC50 = 10.0 nM 202.08 Clc1ccc2c(c1Cl)CNCC2 Homo sapiens CHEMBL759756 single protein format
CHEMBL41487 OBDepict OH NH Br Ki = 12.0 nM 242.12 OCC1Cc2ccc(Br)cc2CN1 Homo sapiens CHEMBL830418 single protein format
CHEMBL57966 OBDepict _ O + N O NH H CH 3 Ki = 16.0 nM 192.22 C[C@H]1Cc2ccc([N+](=O)[O-])cc2CN1 Homo sapiens CHEMBL927606 single protein format
CHEMBL200375 OBDepict CH 3 NH Br Ki = 17.0 nM 226.12 CC1Cc2ccc(Br)cc2CN1 Homo sapiens CHEMBL862979 single protein format
CHEMBL4749263 OBDepict NH 2 N N N N H O H OH H H OH S N H NH Ki = 18.0 nM 527.7 Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCCCCNCC2Cc3ccccc3CN2)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4705014 assay format
CHEMBL356439 OBDepict Cl Cl Cl HN Ki = 20.0 nM 236.53 Clc1cc2c(c(Cl)c1Cl)CNCC2 Homo sapiens CHEMBL759767 single protein format
CHEMBL366785 OBDepict HO N H S HN O O F F F Ki = 23.0 nM 324.32 O=S(=O)(NCC(F)(F)F)c1ccc2c(c1)CNC(CO)C2 Homo sapiens CHEMBL829668 single protein format
CHEMBL175519 OBDepict HO N H S HN O O F F F Ki = 28.0 nM 338.35 O=S(=O)(NCCC(F)(F)F)c1ccc2c(c1)CNC(CO)C2 Homo sapiens CHEMBL829668 single protein format
CHEMBL175519 OBDepict HO N H S HN O O F F F IC50 = 28.0 nM 338.35 O=S(=O)(NCCC(F)(F)F)c1ccc2c(c1)CNC(CO)C2 Homo sapiens CHEMBL958732 single protein format
CHEMBL149023 OBDepict Cl HN Ki = 29.0 nM 167.64 Clc1ccc2c(c1)CNCC2 Homo sapiens CHEMBL759766 single protein format
CHEMBL146188 OBDepict Cl NH Ki = 30.0 nM 167.64 Clc1cccc2c1CNCC2 Homo sapiens CHEMBL759765 single protein format
CHEMBL4740168 OBDepict NH 2 N N N N H O H OH H H HO S HN N H Ki = 38.0 nM 471.59 Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNCC2Cc3ccccc3CN2)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4705014 assay format
CHEMBL459366 OBDepict S N HN Ki = 40.0 nM 190.27 S=C=Nc1ccc2c(c1)CNCC2 Homo sapiens CHEMBL1024778 single protein format
CHEMBL4795252 OBDepict O NH N H S H O H OH H N H OH N N N NH 2 Ki = 46.0 nM 499.6 Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNC(=O)C2Cc3ccccc3CN2)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4705014 assay format
CHEMBL59441 OBDepict OH NH + N O _ O Ki = 47.0 nM 208.22 O=[N+]([O-])c1ccc2c(c1)CNC(CO)C2 Homo sapiens CHEMBL830418 single protein format
CHEMBL41647 OBDepict HO N H S O O NH 2 Ki = 52.0 nM 242.3 NS(=O)(=O)c1ccc2c(c1)CNC(CO)C2 Homo sapiens CHEMBL829668 single protein format
CHEMBL149816 OBDepict Cl Cl Cl HN Cl Ki = 52.0 nM 270.97 Clc1c(Cl)c(Cl)c2c(c1Cl)CCNC2 Homo sapiens CHEMBL759767 single protein format
CHEMBL281864 OBDepict Br HN Ki = 56.0 nM 212.09 Brc1ccc2c(c1)CNCC2 Homo sapiens CHEMBL890212 single protein format
CHEMBL4796664 OBDepict NH 2 N N N N H O H OH H H OH S N H N H Ki = 57.0 nM 513.67 Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCCCNCC2Cc3ccccc3CN2)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4705014 assay format
CHEMBL149535 OBDepict Cl Cl Cl HN Ki = 59.0 nM 236.53 Clc1cc(Cl)c2c(c1Cl)CNCC2 Homo sapiens CHEMBL759766 single protein format
CHEMBL425522 OBDepict F H N H S HN O O F F F Ki = 61.0 nM 326.31 O=S(=O)(NCC(F)(F)F)c1ccc2c(c1)CN[C@@H](CF)C2 Homo sapiens CHEMBL828974 assay format
CHEMBL176112 OBDepict HO N H S HN O O Cl Ki = 63.0 nM 352.84 O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)CNC(CO)C2 Homo sapiens CHEMBL829668 single protein format
CHEMBL206892 OBDepict F F NH F F F Ki = 67.0 nM 251.2 FC(F)C1Cc2ccc(C(F)(F)F)cc2CN1 Homo sapiens CHEMBL866947 single protein format
CHEMBL4789060 OBDepict O NH N H S + N O _ O H O H OH H N H OH N N N NH 2 Ki = 70.0 nM 544.59 Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNC(=O)C2Cc3ccc([N+](=O)[O-])cc3CN2)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4705014 assay format
CHEMBL4791266 OBDepict Cl N H HN O S H O H HO H N H HO N N N H 2 N Ki = 71.0 nM 520.02 Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNC(=O)C2Cc3ccc(Cl)cc3CN2)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4705014 assay format
CHEMBL59719 OBDepict CH 3 NH + N O _ O Ki = 72.0 nM 192.22 CC1Cc2ccc([N+](=O)[O-])cc2CN1 Homo sapiens CHEMBL862979 single protein format
CHEMBL361203 OBDepict F H N H S O O NH 2 Ki = 72.0 nM 244.29 NS(=O)(=O)c1ccc2c(c1)CN[C@@H](CF)C2 Homo sapiens CHEMBL828974 assay format
CHEMBL536247 OBDepict Cl Cl N N Cl Cl ClH ClH IC50 = 80.0 nM 503.13 Cl.Cl.Clc1ccc2c(c1Cl)CN(CCN1CCc3ccc(Cl)c(Cl)c3C1)CC2 Homo sapiens CHEMBL759755 single protein format
CHEMBL4791373 OBDepict O N H N H S + N H O O _ O H OH H N H OH N N N H 2 N Ki = 86.0 nM 530.57 Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNC(=O)C2Cc3ccc([N+](=O)[O-])cc3CN2)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4705014 assay format
CHEMBL26828 OBDepict I HN Ki = 93.0 nM 259.09 Ic1ccc2c(c1)CNCC2 Homo sapiens CHEMBL862979 single protein format
CHEMBL381297 OBDepict F F NH Br Ki = 94.0 nM 262.1 FC(F)C1Cc2ccc(Br)cc2CN1 Homo sapiens CHEMBL866947 single protein format
CHEMBL177101 OBDepict F H N H S HN O O F F F Ki = 99.0 nM 340.34 O=S(=O)(NCCC(F)(F)F)c1ccc2c(c1)CN[C@@H](CF)C2 Homo sapiens CHEMBL828974 assay format
CHEMBL356439 OBDepict Cl Cl Cl HN IC50 = 100.0 nM 236.53 Clc1cc2c(c(Cl)c1Cl)CNCC2 Homo sapiens CHEMBL759756 single protein format
CHEMBL556970 OBDepict Cl Cl N N Cl Cl ClH ClH IC50 = 100.0 nM 531.18 Cl.Cl.Clc1ccc2c(c1Cl)CN(CCCCN1CCc3ccc(Cl)c(Cl)c3C1)CC2 Homo sapiens CHEMBL759755 single protein format
CHEMBL135959 OBDepict F H N H S HN O O Cl Ki = 110.0 nM 354.83 O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)CN[C@@H](CF)C2 Homo sapiens CHEMBL828974 assay format
CHEMBL281289 OBDepict _ O + N O HN Ki = 120.0 nM 178.19 O=[N+]([O-])c1ccc2c(c1)CNCC2 Homo sapiens CHEMBL890212 single protein format
CHEMBL178695 OBDepict F N H S HN O O F F F Ki = 130.0 nM 326.31 O=S(=O)(NCC(F)(F)F)c1ccc2c(c1)CNC(CF)C2 Homo sapiens CHEMBL828974 assay format
CHEMBL95873 OBDepict F N H S O O NH 2 Ki = 150.0 nM 244.29 NS(=O)(=O)c1ccc2c(c1)CNC(CF)C2 Homo sapiens CHEMBL828974 assay format
CHEMBL182376 OBDepict F F HN + N O _ O Ki = 170.0 nM 228.2 O=[N+]([O-])c1ccc2c(c1)CNC(C(F)F)C2 Homo sapiens CHEMBL866947 single protein format
CHEMBL175527 OBDepict CH 3 NH S O O N H HO Ki = 170.0 nM 270.35 CCNS(=O)(=O)c1ccc2c(c1)CNC(CO)C2 Homo sapiens CHEMBL829668 single protein format
CHEMBL177062 OBDepict CH 3 NH S O O N H HO Ki = 190.0 nM 284.38 CCCNS(=O)(=O)c1ccc2c(c1)CNC(CO)C2 Homo sapiens CHEMBL829668 single protein format
CHEMBL208040 OBDepict F F NH I Ki = 200.0 nM 309.1 FC(F)C1Cc2ccc(I)cc2CN1 Homo sapiens CHEMBL866947 single protein format
CHEMBL149816 OBDepict Cl Cl Cl HN Cl IC50 = 200.0 nM 270.97 Clc1c(Cl)c(Cl)c2c(c1Cl)CCNC2 Homo sapiens CHEMBL759756 single protein format
CHEMBL149023 OBDepict Cl HN IC50 = 200.0 nM 167.64 Clc1ccc2c(c1)CNCC2 Homo sapiens CHEMBL759756 single protein format
CHEMBL146188 OBDepict Cl NH IC50 = 200.0 nM 167.64 Clc1cccc2c1CNCC2 Homo sapiens CHEMBL759756 single protein format
CHEMBL286497 OBDepict Cl HN S O O N H Ki = 210.0 nM 322.82 O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)CNCC2 Homo sapiens CHEMBL895324 single protein format
CHEMBL243836 OBDepict Br HN Ki = 220.0 nM 262.15 Brc1cccc2c3c(ccc12)CCNC3 Homo sapiens CHEMBL890212 single protein format
CHEMBL177621 OBDepict F N H S HN O O F F F Ki = 220.0 nM 340.34 O=S(=O)(NCCC(F)(F)F)c1ccc2c(c1)CNC(CF)C2 Homo sapiens CHEMBL828974 assay format
CHEMBL175935 OBDepict OH N H S N O O S Ki = 230.0 nM 328.46 O=S(=O)(c1ccc2c(c1)CNC(CO)C2)N1CCSCC1 Homo sapiens CHEMBL829668 single protein format
CHEMBL377669 OBDepict F F N H S HN O O F F F Ki = 250.0 nM 344.3 O=S(=O)(NCC(F)(F)F)c1ccc2c(c1)CNC(C(F)F)C2 Homo sapiens CHEMBL866947 single protein format
CHEMBL38681 OBDepict Cl Cl N H Ki = 280.0 nM 216.11 Clc1ccc2c(c1Cl)CNCCC2 Homo sapiens CHEMBL759752 assay format
CHEMBL337144 OBDepict HO H HN Br Ki = 300.0 nM 242.12 OC[C@H]1Cc2ccc(Br)cc2CN1 Homo sapiens CHEMBL759752 assay format
CHEMBL149535 OBDepict Cl Cl Cl HN IC50 = 300.0 nM 236.53 Clc1cc(Cl)c2c(c1Cl)CNCC2 Homo sapiens CHEMBL759754 single protein format
CHEMBL535579 OBDepict Cl Cl N N Cl Cl ClH ClH IC50 = 300.0 nM 517.16 Cl.Cl.Clc1ccc2c(c1Cl)CN(CCCN1CCc3ccc(Cl)c(Cl)c3C1)CC2 Homo sapiens CHEMBL759755 single protein format
CHEMBL355581 OBDepict F N H S N O O S Ki = 315.0 nM 330.45 O=S(=O)(c1ccc2c(c1)CNC(CF)C2)N1CCSCC1 Homo sapiens CHEMBL895324 single protein format
CHEMBL361749 OBDepict OH HN Br Ki = 350.0 nM 256.14 OCCC1Cc2ccc(Br)cc2CN1 Homo sapiens CHEMBL830418 single protein format
CHEMBL197019 OBDepict Cl NH H F F F Ki = 460.0 nM 235.64 FC(F)(F)[C@H]1Cc2ccc(Cl)cc2CN1 Homo sapiens CHEMBL862979 single protein format
CHEMBL400515 OBDepict _ O + N O S NH H CH 3 Ki = 480.0 nM 198.25 C[C@H]1Cc2sc([N+](=O)[O-])cc2CN1 Homo sapiens CHEMBL927606 single protein format
CHEMBL437699 OBDepict CH 3 NH Br Ki = 480.0 nM 240.14 CCC1Cc2ccc(Br)cc2CN1 Homo sapiens CHEMBL862979 single protein format
CHEMBL439864 OBDepict CH 3 NH + N O _ O Ki = 490.0 nM 206.25 CCC1Cc2ccc([N+](=O)[O-])cc2CN1 Homo sapiens CHEMBL862979 single protein format
CHEMBL371898 OBDepict F F F HN H F F F Ki = 500.0 nM 269.19 FC(F)(F)c1ccc2c(c1)CN[C@@H](C(F)(F)F)C2 Homo sapiens CHEMBL862979 single protein format
CHEMBL182970 OBDepict HO NH + N O _ O Ki = 510.0 nM 222.24 O=[N+]([O-])c1ccc2c(c1)CNC(CCO)C2 Homo sapiens CHEMBL830418 single protein format
CHEMBL185992 OBDepict CH 3 O NH S O O N H F Ki = 560.0 nM 316.4 CCOCCNS(=O)(=O)c1ccc2c(c1)CNC(CF)C2 Homo sapiens CHEMBL829053 assay format
CHEMBL26717 OBDepict NH 2 S O O N H Ki = 580.0 nM 212.27 NS(=O)(=O)c1ccc2c(c1)CNCC2 Homo sapiens CHEMBL759752 assay format
CHEMBL13165 OBDepict NH 2 Cl Cl IC50 = 600.0 nM 176.05 NCc1cccc(Cl)c1Cl Homo sapiens CHEMBL759757 single protein format
CHEMBL135957 OBDepict F H N H S HN O O Cl Ki = 610.0 nM 354.83 O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)CN[C@H](CF)C2 Homo sapiens CHEMBL828974 assay format
CHEMBL177749 OBDepict F H N H S N O O S Ki = 610.0 nM 330.45 O=S(=O)(c1ccc2c(c1)CN[C@@H](CF)C2)N1CCSCC1 Homo sapiens CHEMBL828974 assay format
CHEMBL275595 OBDepict F NH I Ki = 660.0 nM 291.11 FCC1Cc2ccc(I)cc2CN1 Homo sapiens CHEMBL759752 assay format
CHEMBL426128 OBDepict F F N H S O O NH 2 Ki = 680.0 nM 262.28 NS(=O)(=O)c1ccc2c(c1)CNC(C(F)F)C2 Homo sapiens CHEMBL866947 single protein format
CHEMBL253218 OBDepict CH 3 NH S Br Ki = 730.0 nM 232.15 CC1Cc2sc(Br)cc2CN1 Homo sapiens CHEMBL927606 single protein format
CHEMBL175094 OBDepict CH 3 NH S O O N H H F Ki = 750.0 nM 272.35 CCNS(=O)(=O)c1ccc2c(c1)CN[C@@H](CF)C2 Homo sapiens CHEMBL828974 assay format
CHEMBL27664 OBDepict CH 3 S O O N H Ki = 790.0 nM 211.29 CS(=O)(=O)c1ccc2c(c1)CNCC2 Homo sapiens CHEMBL868082 assay format
CHEMBL179298 OBDepict CH 3 NH S O O N H H F Ki = 790.0 nM 286.37 CCCNS(=O)(=O)c1ccc2c(c1)CN[C@@H](CF)C2 Homo sapiens CHEMBL828974 assay format
CHEMBL4787632 OBDepict O N H N H S H O H OH H N H OH N N N H 2 N Ki = 810.0 nM 485.57 Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNC(=O)C2Cc3ccccc3CN2)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4705014 assay format
CHEMBL39493 OBDepict H 3 C NH 2 Cl Cl Ki = 810.0 nM 190.07 CC(N)c1cccc(Cl)c1Cl Homo sapiens CHEMBL759752 assay format
CHEMBL121531 OBDepict F HN Ki = 820.0 nM 165.21 FCC1Cc2ccccc2CN1 Homo sapiens CHEMBL829668 single protein format
CHEMBL207516 OBDepict F F N H S HN O O Cl Ki = 900.0 nM 372.82 O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)CNC(C(F)F)C2 Homo sapiens CHEMBL866947 single protein format
CHEMBL243834 OBDepict _ O + N O HN Ki = 900.0 nM 228.25 O=[N+]([O-])c1cccc2c3c(ccc12)CCNC3 Homo sapiens CHEMBL890212 single protein format
CHEMBL243176 OBDepict OH HN Ki = 910.0 nM 199.25 Oc1cccc2c3c(ccc12)CCNC3 Homo sapiens CHEMBL890212 single protein format
CHEMBL370794 OBDepict I NH H F F F Ki = 940.0 nM 327.09 FC(F)(F)[C@H]1Cc2ccc(I)cc2CN1 Homo sapiens CHEMBL862979 single protein format
CHEMBL290890 OBDepict F N H S HN O O Cl Ki = 950.0 nM 354.83 O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)CNC(CF)C2 Homo sapiens CHEMBL759752 assay format
CHEMBL198896 OBDepict F F F HN F F F Ki = 980.0 nM 269.19 FC(F)(F)c1ccc2c(c1)CNC(C(F)(F)F)C2 Homo sapiens CHEMBL862979 single protein format
CHEMBL196970 OBDepict Cl NH F F F Ki = 990.0 nM 235.64 FC(F)(F)C1Cc2ccc(Cl)cc2CN1 Homo sapiens CHEMBL862979 single protein format
CHEMBL535351 OBDepict Cl Cl N N Cl Cl ClH ClH IC50 = 1000.0 nM 559.24 Cl.Cl.Clc1ccc2c(c1Cl)CN(CCCCCCN1CCc3ccc(Cl)c(Cl)c3C1)CC2 Homo sapiens CHEMBL759755 single protein format
CHEMBL43183 OBDepict F N H S HN O O Br Ki = 1000.0 nM 399.29 O=S(=O)(Nc1ccc(Br)cc1)c1ccc2c(c1)CNC(CF)C2 Homo sapiens CHEMBL759752 assay format