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P25021 | HRH2_HUMAN | Histamine H2 receptor (HRH2)

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
CHEMBL194837 OBDepict H 3 C N CH 3 O N CH 3 N H O O Cl Cl IC50 = 0.87 nM 448.35 Cc1cc(OCCN(C)C)nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc12 Homo sapiens CHEMBL881891 single protein format
CHEMBL1627 OBDepict CH 3 NH O N HO Cl Ki = 1.7 nM 463.02 CNC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL1025635 single protein format
CHEMBL1090526 OBDepict H 3 C O N N H 3 C H N CH 3 H 3 C F Ki = 4.5 nM 341.43 COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2cc(F)ccc21 Homo sapiens CHEMBL1815406 single protein format
CHEMBL3544974 OBDepict Cl O N H 3 C HO O O OH Ki = 5.7 nM 401.85 CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1.O=C(O)/C=CC(=O)O Homo sapiens CHEMBL3106116 single protein format
CHEMBL269646 OBDepict N HN HN N CH 3 S N S N H 2 N NH 2 Ki = 18.0 nM 312.43 C/N=C(NC#N)NCCSCc1csc(N=C(N)N)n1 Homo sapiens CHEMBL2395102 cell-based format
CHEMBL269646 OBDepict N HN HN N CH 3 S N S N H 2 N NH 2 IC50 = 22.0 nM 312.43 C/N=C(NC#N)NCCSCc1csc(N=C(N)N)n1 Homo sapiens CHEMBL2395102 cell-based format
CHEMBL902 OBDepict NH 2 N H 2 N S N S N H 2 N S O O NH 2 Ki = 41.0 nM 337.46 NC(N)=Nc1nc(CSCC/C(N)=N/S(N)(=O)=O)cs1 Homo sapiens CHEMBL1909157 cell membrane format
CHEMBL902 OBDepict NH 2 N H 2 N S N S N H 2 N S O O NH 2 IC50 = 42.0 nM 337.46 NC(N)=Nc1nc(CSCC/C(N)=N/S(N)(=O)=O)cs1 Homo sapiens CHEMBL1909157 cell membrane format
CHEMBL3104091 OBDepict CH 3 N N Ki = 81.0 nM 288.39 CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 Homo sapiens CHEMBL3106116 single protein format
CHEMBL588119 OBDepict CH 3 N H H 3 C H OH H S CH 3 CH 3 Ki = 88.5 nM 337.57 CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 Homo sapiens CHEMBL1909157 cell membrane format
CHEMBL222927 OBDepict H 3 C O N N O S O HO IC50 < 100.0 nM 442.58 CCOCCn1cc(C2CCN(CCOc3ccsc3C(=O)O)CC2)c2ccccc21 Homo sapiens CHEMBL914453 cell membrane format
CHEMBL3735289 OBDepict CH 3 NH Cl O N NH 2 ClH ClH Ki < 100.0 nM 400.74 CNCc1cc(OCc2ccc3ccc(N)nc3c2)ccc1Cl.Cl.Cl Homo sapiens CHEMBL3738631 single protein format
CHEMBL3139682 OBDepict Cl N H N NH 2 Ki < 100.0 nM 325.84 Nc1ccc2ccc(CCNCCc3cccc(Cl)c3)cc2n1 Homo sapiens CHEMBL4041182 cell-based format
CHEMBL588119 OBDepict CH 3 N H H 3 C H OH H S CH 3 CH 3 IC50 = 108.1 nM 337.57 CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 Homo sapiens CHEMBL1909157 cell membrane format
CHEMBL223024 OBDepict H 3 C O N N O O HO IC50 = 123.0 nM 436.55 CCOCCn1cc(C2CCN(CCOc3cccc(C(=O)O)c3)CC2)c2ccccc21 Homo sapiens CHEMBL914453 cell membrane format
CHEMBL4128926 OBDepict OH O H H N H O N S S HN O O CH 3 CH 3 CH 3 IC50 = 142.0 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 CHEMBL4121483 single protein format
CHEMBL30 OBDepict N NH N N H H 3 C S N CH 3 N H Ki = 170.0 nM 252.35 CN/C(=N/CCSCc1nc[nH]c1C)NC#N Homo sapiens CHEMBL947354 single protein format
CHEMBL2204360 OBDepict H 3 C CH 3 S N NH ClH Ki = 180.0 nM 334.92 Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1.Cl Homo sapiens CHEMBL2215361 single protein format
CHEMBL30 OBDepict N NH N N H H 3 C S N CH 3 N H IC50 = 180.0 nM 252.35 CN/C(=N/CCSCc1nc[nH]c1C)NC#N Homo sapiens CHEMBL947354 single protein format
CHEMBL516 OBDepict CH 3 N Ki = 195.0 nM 287.41 CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1 Homo sapiens CHEMBL1909157 cell membrane format
CHEMBL516 OBDepict CH 3 N IC50 = 198.0 nM 287.41 CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1 Homo sapiens CHEMBL1909157 cell membrane format
CHEMBL221462 OBDepict H 3 C O N N O O OH H 3 C IC50 = 225.0 nM 450.58 CCOCCn1cc(C2CCN(CCOc3ccc(C)cc3C(=O)O)CC2)c2ccccc21 Homo sapiens CHEMBL914453 cell membrane format
CHEMBL4291048 OBDepict F N N F OH Cl F F F Ki = 252.0 nM 524.96 OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1 Homo sapiens CHEMBL4260826 cell-based format
CHEMBL221413 OBDepict H 3 C O N F N O O OH IC50 = 260.0 nM 454.54 CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccc(F)cc21 Homo sapiens CHEMBL914453 cell membrane format
CHEMBL1644980 OBDepict Cl F F F OH N Ki = 278.0 nM 487.99 OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccccc2)c2ccccc2)CC1 Homo sapiens CHEMBL4260826 cell-based format
CHEMBL4163428 OBDepict CH 3 N N N O O Ki = 285.0 nM 351.45 CN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)C3)CC1 Homo sapiens CHEMBL4153422 cell-based format
CHEMBL104344 OBDepict Cl S N H O O H N O O Ki = 290.0 nM 463.0 O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccc(Cl)cc3)C2)cc1)C1CC1 Homo sapiens CHEMBL697135 single protein format
CHEMBL321709 OBDepict Br S N H O O H N O O Ki = 290.0 nM 507.45 O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccc(Br)cc3)C2)cc1)C1CC1 Homo sapiens CHEMBL697135 single protein format
CHEMBL199824 OBDepict CH 3 N O O N N N N O H H H Ki = 302.0 nM 422.52 Cn1c(=O)cnn(CCCCN2CCN(c3cccc4ccc(O[11CH3])cc34)CC2)c1=O Homo sapiens CHEMBL868796 single protein format
CHEMBL102925 OBDepict H 3 C S HN O O H N O O Ki = 330.0 nM 456.61 CCc1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1 Homo sapiens CHEMBL697135 single protein format
CHEMBL1626 OBDepict Cl O CH 3 H N CH 3 Ki = 364.0 nM 343.9 CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 Homo sapiens CHEMBL1909157 cell membrane format
CHEMBL116463 OBDepict N O NH O N F F IC50 = 368.0 nM 517.62 N#Cc1ccc(CCOC(=O)NC2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 Homo sapiens CHEMBL697133 single protein format
CHEMBL1626 OBDepict Cl O CH 3 H N CH 3 IC50 = 370.0 nM 343.9 CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 Homo sapiens CHEMBL1909157 cell membrane format
CHEMBL107293 OBDepict H 3 C S HN O O H N O O Ki = 380.0 nM 442.58 Cc1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1 Homo sapiens CHEMBL697135 single protein format
CHEMBL21731 OBDepict CH 3 N H Ki = 393.0 nM 277.41 CNCCCC12CCC(c3ccccc31)c1ccccc12 Homo sapiens CHEMBL1909157 cell membrane format
CHEMBL21731 OBDepict CH 3 N H IC50 = 400.0 nM 277.41 CNCCCC12CCC(c3ccccc31)c1ccccc12 Homo sapiens CHEMBL1909157 cell membrane format
CHEMBL2205812 OBDepict CH 3 O N OH Ki = 400.0 nM 309.41 COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1 Homo sapiens CHEMBL2215119 single protein format
CHEMBL4282702 OBDepict F N OH Cl F F F Ki = 401.0 nM 443.91 OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCCCc2ccc(F)cc2)CC1 Homo sapiens CHEMBL4260826 cell-based format
CHEMBL2207642 OBDepict CH 3 O N N N N Cl Ki = 460.0 nM 541.14 COc1ccccc1N1CCN(Cc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)c3cccccc2-3)CC1 Homo sapiens CHEMBL2214274 cell-based format
CHEMBL221414 OBDepict H 3 C O N N O Br O OH Br IC50 = 500.0 nM 594.34 CCOCCn1cc(C2CCN(CCOc3c(Br)cc(Br)cc3C(=O)O)CC2)c2ccccc21 Homo sapiens CHEMBL914453 cell membrane format
CHEMBL374585 OBDepict H 3 C O N F N O O OH IC50 = 500.0 nM 454.54 CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2cc(F)ccc21 Homo sapiens CHEMBL914453 cell membrane format
CHEMBL222881 OBDepict OH O O N N S IC50 = 500.0 nM 460.6 O=C(O)c1ccccc1OCCN1CCC(c2cn(Cc3cccs3)c3ccccc23)CC1 Homo sapiens CHEMBL914453 cell membrane format
CHEMBL104808 OBDepict F S N H O O H N O O Ki = 500.0 nM 446.54 O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccc(F)cc3)C2)cc1)C1CC1 Homo sapiens CHEMBL697135 single protein format
CHEMBL4169689 OBDepict CH 3 O O N N N O O Ki = 507.0 nM 451.57 CCOC(=O)CCN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)CC3)CC1 Homo sapiens CHEMBL4153422 cell-based format
CHEMBL4546937 OBDepict Cl S N N N H N N H Ki = 520.0 nM 379.88 Clc1ccc(C#Cc2nc(NCCc3ccccc3)c3nc[nH]c3n2)s1 Homo sapiens CHEMBL4369180 cell-based format
CHEMBL4287623 OBDepict F F N OH Cl F F F Ki = 526.0 nM 535.98 OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 Homo sapiens CHEMBL4260826 cell-based format
CHEMBL2207641 OBDepict CH 3 O N N N N O CH 3 Ki = 530.0 nM 536.72 COc1ccccc1N1CCN(Cc2cc(CN3CCN(c4ccccc4OC)CC3)c3cccccc2-3)CC1 Homo sapiens CHEMBL2214274 cell-based format
CHEMBL481153 OBDepict O N O S N Ki = 540.0 nM 340.45 O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21 Homo sapiens CHEMBL2404437 single protein format
CHEMBL4562437 OBDepict CH 3 N HN O N H O CH 3 H 3 C N H Ki = 546.0 nM 432.57 Cc1cccc(C)c1N1C(=O)[C@H](CC2CNc3ccccc32)NC2(CCN(C)CC2)C1=O Homo sapiens CHEMBL4423341 cell-based format
CHEMBL1644978 OBDepict F F N OH Cl F F F Ki = 546.0 nM 538.0 OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 Homo sapiens CHEMBL4260826 cell-based format
CHEMBL4084262 OBDepict H 3 C O N N S N N N H 3 C Ki = 596.0 nM 491.71 COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccccc4)n3C)CC2)CC1 Homo sapiens CHEMBL4397389 cell-based format
CHEMBL222985 OBDepict OH O N N O IC50 = 630.0 nM 414.51 O=C(O)c1cccc(CN2CCC(c3cn(Cc4ccco4)c4ccccc34)CC2)c1 Homo sapiens CHEMBL914453 cell membrane format
CHEMBL467094 OBDepict CH 3 O O CH 3 N O H 3 C O Ki = 672.0 nM 339.39 COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4 Homo sapiens CHEMBL1066754 single protein format
CHEMBL222853 OBDepict H 3 C O N N O O HO IC50 = 691.0 nM 436.55 CCOCCn1cc(C2CCN(CCOc3ccc(C(=O)O)cc3)CC2)c2ccccc21 Homo sapiens CHEMBL914453 cell membrane format
CHEMBL321320 OBDepict Cl S N H O O H N O O Ki = 700.0 nM 463.0 O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3cccc(Cl)c3)C2)cc1)C1CC1 Homo sapiens CHEMBL697135 single protein format
CHEMBL420108 OBDepict N S HN O O H N O O Ki = 710.0 nM 453.56 N#Cc1ccccc1S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)C1 Homo sapiens CHEMBL697135 single protein format
CHEMBL629 OBDepict CH 3 N CH 3 Ki = 718.0 nM 277.41 CN(C)CCC=C1c2ccccc2CCc2ccccc21 Homo sapiens CHEMBL1909157 cell membrane format
CHEMBL629 OBDepict CH 3 N CH 3 IC50 = 730.0 nM 277.41 CN(C)CCC=C1c2ccccc2CCc2ccccc21 Homo sapiens CHEMBL1909157 cell membrane format
CHEMBL105071 OBDepict O O N H N H S O O CH 3 CH 3 H 3 C Ki = 730.0 nM 484.66 CC(C)(C)c1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1 Homo sapiens CHEMBL697135 single protein format
CHEMBL2205813 OBDepict CH 3 O O CH 3 N OH Ki = 743.0 nM 339.44 COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1OC Homo sapiens CHEMBL2215119 single protein format
CHEMBL113956 OBDepict CH 3 O N H N O N F F IC50 = 757.0 nM 521.65 CCOc1ccc(CCNC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 Homo sapiens CHEMBL697133 single protein format
CHEMBL181278 OBDepict H 3 C O N N O O O OH H 3 C IC50 = 779.0 nM 466.58 CCOCCn1cc(C2CCN(CCOc3cc(OC)ccc3C(=O)O)CC2)c2ccccc21 Homo sapiens CHEMBL914453 cell membrane format
CHEMBL4514672 OBDepict H 3 C N N O N CH 3 O CH 3 H 3 C Ki = 823.0 nM 313.4 CC1=NC2(CCN(C)CC2)C(=O)N(c2c(C)cccc2C)C1=O Homo sapiens CHEMBL4423341 cell-based format
CHEMBL490632 OBDepict F O O H 3 C O N H 3 C Ki = 827.0 nM 399.51 COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1 Homo sapiens CHEMBL961047 single protein format
CHEMBL376025 OBDepict H 3 C O N N O O OH F IC50 = 850.0 nM 454.54 CCOCCn1cc(C2CCN(CCOc3cccc(F)c3C(=O)O)CC2)c2ccccc21 Homo sapiens CHEMBL914453 cell membrane format
CHEMBL474991 OBDepict H N N N CH 3 CH 3 H 3 C N N N Ki = 850.0 nM 476.63 CC(C)(C)c1ccc(-c2nc3c(N4CCN(Cc5ccc6nccnc6c5)CC4)cccc3[nH]2)cc1 Homo sapiens CHEMBL1010981 single protein format
CHEMBL189118 OBDepict CH 3 N H 3 C N H 3 C N H 3 C HN O O F F F IC50 = 860.0 nM 472.51 Cc1cc(N(C)CCN(C)C)nc2ccc(NC(=O)/C=C/c3ccc(OC(F)(F)F)cc3)cc12 Homo sapiens CHEMBL881888 single protein format
CHEMBL223837 OBDepict F N O N O O HO IC50 = 870.0 nM 462.52 O=C(O)c1ccccc1OCCN1CCC(c2cn(Cc3ccco3)c3cc(F)ccc23)CC1 Homo sapiens CHEMBL914453 cell membrane format
CHEMBL4083252 OBDepict H 3 C O N N S N N N H 3 C Ki = 871.0 nM 423.59 COc1ccccc1N1CCN(CCCSc2nnc(-c3ccccc3)n2C)CC1 Homo sapiens CHEMBL4397389 cell-based format
CHEMBL374675 OBDepict F N O N O O HO IC50 = 880.0 nM 462.52 O=C(O)c1ccccc1OCCN1CCC(c2cn(Cc3ccoc3)c3cc(F)ccc23)CC1 Homo sapiens CHEMBL914453 cell membrane format
CHEMBL101748 OBDepict N S HN O O H N O O Ki = 900.0 nM 453.56 N#Cc1cccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)c1 Homo sapiens CHEMBL697135 single protein format
CHEMBL2031737 OBDepict O O + N O _ O N H H 3 C Ki = 923.0 nM 378.43 C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc([N+](=O)[O-])cc3)ccc2o1 Homo sapiens CHEMBL2033480 single protein format
CHEMBL479 OBDepict H 3 C S N S N CH 3 Ki = 934.0 nM 370.59 CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2 Homo sapiens CHEMBL1909157 cell membrane format
CHEMBL3104093 OBDepict CH 3 N N Ki = 943.0 nM 288.39 CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 Homo sapiens CHEMBL3106116 single protein format
CHEMBL2205811 OBDepict CH 3 O N HO Ki = 948.0 nM 309.41 COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1 Homo sapiens CHEMBL2215119 single protein format
CHEMBL374755 OBDepict H 3 C O N N O O OH O H 3 C IC50 = 950.0 nM 478.59 CCOCCn1cc(C2CCN(CCOc3ccc(C(C)=O)cc3C(=O)O)CC2)c2ccccc21 Homo sapiens CHEMBL914453 cell membrane format
CHEMBL479 OBDepict H 3 C S N S N CH 3 IC50 = 950.0 nM 370.59 CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2 Homo sapiens CHEMBL1909157 cell membrane format
CHEMBL19215 OBDepict O O N H H N CH 3 H H N CH 3 Ki = 959.0 nM 403.53 CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 Homo sapiens CHEMBL1909157 cell membrane format
CHEMBL19215 OBDepict O O N H H N CH 3 H H N CH 3 IC50 = 975.0 nM 403.53 CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 Homo sapiens CHEMBL1909157 cell membrane format
CHEMBL4173095 OBDepict O N O N N CH 2 CH 3 Ki = 985.0 nM 405.54 C=C(C)CN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)CC3)CC1 Homo sapiens CHEMBL4153422 cell-based format
CHEMBL6437 OBDepict CH 3 N N Ki = 992.0 nM 264.37 CN1CCN2c3ccccc3Cc3ccccc3C2C1 Homo sapiens CHEMBL1909157 cell membrane format
CHEMBL4086541 OBDepict CH 3 O N H H 3 C N IC50 = 1000.0 nM 324.47 COc1ccc(CN2CCCN(Cc3ccccc3)[C@@H](C)C2)cc1 Homo sapiens CHEMBL4044993 single protein format
CHEMBL102384 OBDepict O O N H N H S O O Cl Ki = 1000.0 nM 463.0 O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccccc3Cl)C2)cc1)C1CC1 Homo sapiens CHEMBL697135 single protein format
CHEMBL47050 OBDepict F N F OH Cl F F F Ki = 1000.0 nM 523.97 OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 Homo sapiens CHEMBL4260826 cell-based format
CHEMBL107162 OBDepict H 3 C O S HN O O H N O O Ki = 1000.0 nM 458.58 COc1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1 Homo sapiens CHEMBL697135 single protein format