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P45452 | MMP13_HUMAN | Collagenase 3 (MMP13)

3D structures mapped by conservation among orthologs

[ Domain: "Metalloproteases ("zincins") catalytic domain" // Peptidase_M10 ]

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[ Domain: "4-bladed" // Hemopexin ]

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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
CHEMBL3337899 OBDepict CH 3 O N H O N N H S O N H O O HO IC50 = 0.0022 nM 492.51 COc1cccc(CNC(=O)c2nc3scc(CNC(=O)c4ccc(C(=O)O)cc4)c3c(=O)[nH]2)c1 Homo sapiens CHEMBL3373425 single protein format
CHEMBL3932562 OBDepict OH HN O HN H CH 3 H 3 C S O O NH O N N H O IC50 = 0.0032 nM 549.61 CC(C)[C@H](NS(=O)(=O)c1ccc(-c2cccc(CNC(=O)c3nc4ccccc4c(=O)[nH]3)c2)cc1)C(=O)NO Homo sapiens CHEMBL3868397 single protein format
CHEMBL3359091 OBDepict CH 3 O HN O N N H O O F O OH IC50 = 0.0039 nM 491.48 COc1cccc(CNC(=O)c2nc3ccc(F)c(OCCc4ccc(C(=O)O)cc4)c3c(=O)[nH]2)c1 Homo sapiens CHEMBL3388707 single protein format
CHEMBL3337897 OBDepict H 3 C O NH O N N H S O N H O O OH IC50 = 0.005 nM 492.51 COc1cccc(CNC(=O)c2nc3scc(CC(=O)Nc4ccc(C(=O)O)cc4)c3c(=O)[nH]2)c1 Homo sapiens CHEMBL3373425 single protein format
CHEMBL2064547 OBDepict F N N N N S O O O CH 3 H HN O CH 3 H 3 C OH IC50 = 0.006 nM 429.47 COc1ccc(S(=O)(=O)N(Cc2cn(CCF)nn2)[C@@H](C(=O)NO)C(C)C)cc1 Homo sapiens CHEMBL2066883 single protein format
CHEMBL3337894 OBDepict CH 3 O HN O N N H S O O O HO IC50 = 0.0069 nM 479.51 COc1cccc(CNC(=O)c2nc3scc(COCc4ccc(C(=O)O)cc4)c3c(=O)[nH]2)c1 Homo sapiens CHEMBL3373425 single protein format
CHEMBL3337901 OBDepict CH 3 O N H O N N H S O N H O O OH IC50 = 0.0077 nM 492.51 COc1cccc(CNC(=O)c2nc3scc(C(=O)NCc4ccc(C(=O)O)cc4)c3c(=O)[nH]2)c1 Homo sapiens CHEMBL3373425 single protein format
CHEMBL421882 OBDepict Br S HN O O O OH CH 3 CH 3 IC50 = 0.008 nM 412.31 CC(C)C(NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1)C(=O)O Homo sapiens CHEMBL2339489 single protein format
CHEMBL3337892 OBDepict CH 3 O HN O N N H S O O O H 2 N IC50 = 0.015 nM 478.53 COc1cccc(CNC(=O)c2nc3scc(COCc4ccc(C(N)=O)cc4)c3c(=O)[nH]2)c1 Homo sapiens CHEMBL3373425 single protein format
CHEMBL317132 OBDepict OH HN O O N N N O Cl IC50 = 0.016 nM 464.91 O=C(NO)C(CCn1nnc2ccccc2c1=O)COc1ccc(-c2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL716176 single protein format
CHEMBL3337898 OBDepict CH 3 O N H O N N H S O N H O IC50 = 0.018 nM 448.5 COc1cccc(CNC(=O)c2nc3scc(CNC(=O)c4ccccc4)c3c(=O)[nH]2)c1 Homo sapiens CHEMBL3373425 single protein format
CHEMBL3337891 OBDepict H 3 C O NH O N N H S O O N IC50 = 0.018 nM 460.52 COc1cccc(CNC(=O)c2nc3scc(COCc4ccc(C#N)cc4)c3c(=O)[nH]2)c1 Homo sapiens CHEMBL3373425 single protein format
CHEMBL3337903 OBDepict H 3 C O NH O N N H S O N H O O OH IC50 = 0.021 nM 492.51 COc1cccc(CNC(=O)c2nc3scc(NC(=O)Cc4ccc(C(=O)O)cc4)c3c(=O)[nH]2)c1 Homo sapiens CHEMBL3373425 single protein format
CHEMBL4087855 OBDepict H N N N O O NH O N N H S O F IC50 = 0.024 nM 506.52 O=C(NCc1cccc(OCCOc2nc[nH]n2)c1)c1nc2scc(-c3ccccc3F)c2c(=O)[nH]1 Homo sapiens CHEMBL4000924 single protein format
CHEMBL4094620 OBDepict H 3 C O S N O N H NH O O O N N N H IC50 = 0.026 nM 518.56 COc1cccc(-c2csc3nc(C(=O)NCc4cccc(OCCOc5nc[nH]n5)c4)[nH]c(=O)c23)c1 Homo sapiens CHEMBL4000924 single protein format
CHEMBL3337900 OBDepict CH 3 O N H O N N H S O N H O IC50 = 0.026 nM 448.5 COc1cccc(CNC(=O)c2nc3scc(C(=O)NCc4ccccc4)c3c(=O)[nH]2)c1 Homo sapiens CHEMBL3373425 single protein format
CHEMBL4079123 OBDepict H N N N O O N H O N N H S O S IC50 = 0.027 nM 494.56 O=C(NCc1cccc(OCCOc2nc[nH]n2)c1)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 Homo sapiens CHEMBL4000924 single protein format
CHEMBL3337896 OBDepict H 3 C O NH O N N H S O N H O IC50 = 0.028 nM 448.5 COc1cccc(CNC(=O)c2nc3scc(CC(=O)Nc4ccccc4)c3c(=O)[nH]2)c1 Homo sapiens CHEMBL3373425 single protein format
CHEMBL3337893 OBDepict CH 3 N H O O S N O N H N H O O CH 3 IC50 = 0.029 nM 492.56 CNC(=O)c1ccc(COCc2csc3nc(C(=O)NCc4cccc(OC)c4)[nH]c(=O)c23)cc1 Homo sapiens CHEMBL3373425 single protein format
CHEMBL3359090 OBDepict CH 3 O HN O N N H O O F H 2 N IC50 = 0.03 nM 462.48 COc1cccc(CNC(=O)c2nc3ccc(F)c(OCCc4ccc(N)cc4)c3c(=O)[nH]2)c1 Homo sapiens CHEMBL3388707 single protein format
CHEMBL2047536 OBDepict O N H O HN O N N N NH O H H 3 C O OH IC50 = 0.03 nM 540.54 Cc1c(C(=O)O)ccc2c1CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2ccnn12 Homo sapiens CHEMBL2050091 single protein format
CHEMBL3337889 OBDepict CH 3 O HN O N N H S O O HO IC50 = 0.032 nM 465.53 COc1cccc(CNC(=O)c2nc3scc(COCc4ccc(CO)cc4)c3c(=O)[nH]2)c1 Homo sapiens CHEMBL3373425 single protein format
CHEMBL4092215 OBDepict H N N N S O N H O N N H S O CH 3 IC50 = 0.033 nM 456.55 Cc1csc2nc(C(=O)NCc3cccc(OCCCSc4nc[nH]n4)c3)[nH]c(=O)c12 Homo sapiens CHEMBL4000924 single protein format
CHEMBL4059519 OBDepict H N N N O O HN O N N H S O IC50 = 0.034 nM 488.53 O=C(NCc1cccc(OCCOc2nc[nH]n2)c1)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1 Homo sapiens CHEMBL4000924 single protein format
CHEMBL4068176 OBDepict F S N O N H HN O O O N N N H IC50 = 0.036 nM 506.52 O=C(NCc1cccc(OCCOc2nc[nH]n2)c1)c1nc2scc(-c3cccc(F)c3)c2c(=O)[nH]1 Homo sapiens CHEMBL4000924 single protein format
CHEMBL75094 OBDepict OH N H O H N S CH 3 CH 3 S O O O N Ki = 0.038 nM 423.52 CC1(C)SCCN(S(=O)(=O)c2ccc(Oc3ccncc3)cc2)[C@H]1C(=O)NO Homo sapiens CHEMBL717449 single protein format
CHEMBL2425941 OBDepict F O S N O O H HN O H 3 C CH 3 N OH IC50 = 0.04 nM 373.41 CC(C)[C@H](C(=O)NO)N(CC#N)S(=O)(=O)c1ccc(OCCF)cc1 Homo sapiens CHEMBL2429271 single protein format
CHEMBL2425949 OBDepict HO N H O N H S H 3 C CH 3 O O O CH 3 N N N O F N IC50 = 0.04 nM 564.64 COc1ccc(S(=O)(=O)N(CCn2cc(CCCCOc3cccnc3F)nn2)[C@@H](C(=O)NO)C(C)C)cc1 Homo sapiens CHEMBL2429271 single protein format
CHEMBL2064549 OBDepict F O O O N N N N S O O O CH 3 H NH O H 3 C CH 3 HO IC50 = 0.04 nM 561.63 COc1ccc(S(=O)(=O)N(Cc2cn(CCOCCOCCOCCF)nn2)[C@@H](C(=O)NO)C(C)C)cc1 Homo sapiens CHEMBL2066883 single protein format
CHEMBL3359088 OBDepict CH 3 O HN O N N H O O F IC50 = 0.04 nM 447.47 COc1cccc(CNC(=O)c2nc3ccc(F)c(OCCc4ccccc4)c3c(=O)[nH]2)c1 Homo sapiens CHEMBL3388707 single protein format
CHEMBL4103367 OBDepict H N N N O O N H O N N H S O S IC50 = 0.043 nM 494.56 O=C(NCc1cccc(OCCOc2nc[nH]n2)c1)c1nc2scc(-c3ccsc3)c2c(=O)[nH]1 Homo sapiens CHEMBL4000924 single protein format
CHEMBL250776 OBDepict N N O O N N O HN O NH O IC50 = 0.05 nM 520.51 N#Cc1ccc(-c2coc(-c3ccc(Oc4ccc(N5CCCC56C(=O)NC(=O)NC6=O)cn4)cc3)n2)cc1 Homo sapiens CHEMBL941691 single protein format
CHEMBL2425947 OBDepict F N N N N S O O O H 3 C H HN O CH 3 CH 3 OH IC50 = 0.05 nM 457.53 COc1ccc(S(=O)(=O)N(CCn2cc(CCCF)nn2)[C@@H](C(=O)NO)C(C)C)cc1 Homo sapiens CHEMBL2429271 single protein format
CHEMBL1914483 OBDepict OH N H O N H S H 3 C CH 3 O O O O CH 3 CH 3 IC50 = 0.05 nM 400.5 CC(C)CCN([C@@H](C(=O)NO)C(C)C)S(=O)(=O)c1ccc2c(c1)OCCO2 Homo sapiens CHEMBL1918196 single protein format
CHEMBL3889936 OBDepict O N HO CH 3 CH 3 S O O NH O N N H O IC50 = 0.051 nM 548.62 CC(C)C(CS(=O)(=O)c1ccc(-c2cccc(CNC(=O)c3nc4ccccc4c(=O)[nH]3)c2)cc1)N(O)C=O Homo sapiens CHEMBL3868397 single protein format
CHEMBL3958969 OBDepict OH N H O N S O O O N H O N N H O IC50 = 0.052 nM 543.6 O=C(NCc1cccc(OCCCS(=O)(=O)N2CCCCC2C(=O)NO)c1)c1nc2ccccc2c(=O)[nH]1 Homo sapiens CHEMBL3868397 single protein format
CHEMBL3337902 OBDepict H 3 C O NH O N N H S O N H O IC50 = 0.053 nM 448.5 COc1cccc(CNC(=O)c2nc3scc(NC(=O)Cc4ccccc4)c3c(=O)[nH]2)c1 Homo sapiens CHEMBL3373425 single protein format
CHEMBL4090287 OBDepict H N N N O O NH O N N H S O Cl IC50 = 0.054 nM 522.97 O=C(NCc1cccc(OCCOc2nc[nH]n2)c1)c1nc2scc(-c3ccccc3Cl)c2c(=O)[nH]1 Homo sapiens CHEMBL4000924 single protein format
CHEMBL4069240 OBDepict Cl S N O N H HN O O O N N N H IC50 = 0.057 nM 522.97 O=C(NCc1cccc(OCCOc2nc[nH]n2)c1)c1nc2scc(-c3cccc(Cl)c3)c2c(=O)[nH]1 Homo sapiens CHEMBL4000924 single protein format
CHEMBL4078492 OBDepict H N N N O O N H O N N H S O Cl IC50 = 0.059 nM 537.0 O=C(NCc1cccc(OCCCOc2nc[nH]n2)c1)c1nc2scc(-c3ccccc3Cl)c2c(=O)[nH]1 Homo sapiens CHEMBL4000924 single protein format
CHEMBL330028 OBDepict CH 3 CH 3 HN O HO S O O IC50 = 0.062 nM 333.41 CC(C)C(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O Homo sapiens CHEMBL2339489 single protein format
CHEMBL4086342 OBDepict H N N N O O N H O N N H S O F IC50 = 0.062 nM 520.55 O=C(NCc1cccc(OCCCOc2nc[nH]n2)c1)c1nc2scc(-c3ccccc3F)c2c(=O)[nH]1 Homo sapiens CHEMBL4000924 single protein format
CHEMBL4068241 OBDepict H N N N O O N H O N N H S O CH 3 IC50 = 0.064 nM 426.46 Cc1csc2nc(C(=O)NCc3cccc(OCCOc4nc[nH]n4)c3)[nH]c(=O)c12 Homo sapiens CHEMBL4000924 single protein format
CHEMBL2425936 OBDepict F N N N N S O O O F H NH O H 3 C CH 3 HO IC50 = 0.07 nM 489.55 CC(C)[C@H](C(=O)NO)N(CCn1cc(CCCF)nn1)S(=O)(=O)c1ccc(OCCF)cc1 Homo sapiens CHEMBL2429271 single protein format
CHEMBL2425938 OBDepict F O S N O O H HN O H 3 C CH 3 N OH N N O F N IC50 = 0.07 nM 596.66 CC(C)[C@H](C(=O)NO)N(CCn1cc(CCCCOc2cccnc2F)nn1)S(=O)(=O)c1ccc(OCCF)cc1 Homo sapiens CHEMBL2429271 single protein format
CHEMBL3978380 OBDepict O NH N N H O S O O N N N H H O IC50 = 0.071 nM 530.57 O=C(NCc1cccc(-c2ccc(CS(=O)(=O)Cc3n[nH]c(=O)[nH]3)cc2)c1)c1nc2ccccc2c(=O)[nH]1 Homo sapiens CHEMBL3868397 single protein format
CHEMBL4064516 OBDepict H N N N S O N H O N N H S O CH 3 IC50 = 0.074 nM 442.53 Cc1csc2nc(C(=O)NCc3cccc(OCCSc4nc[nH]n4)c3)[nH]c(=O)c12 Homo sapiens CHEMBL4000924 single protein format
CHEMBL3965628 OBDepict Cl S N O N H N H O O O N N N H IC50 = 0.078 nM 537.0 O=C(NCc1cccc(OCCCOc2nc[nH]n2)c1)c1nc2scc(-c3cccc(Cl)c3)c2c(=O)[nH]1 Homo sapiens CHEMBL3868397 single protein format
CHEMBL3337890 OBDepict CH 3 O O S N O N H N H O O CH 3 IC50 = 0.08 nM 479.56 COCc1ccc(COCc2csc3nc(C(=O)NCc4cccc(OC)c4)[nH]c(=O)c23)cc1 Homo sapiens CHEMBL3373425 single protein format
CHEMBL250758 OBDepict O NH HN O O N N O N N H F IC50 = 0.08 nM 486.46 O=C1NC(=O)C2(CCCN2c2ccc(Oc3ccc(-c4nc5ccc(F)cc5[nH]4)cc3)nc2)C(=O)N1 Homo sapiens CHEMBL941691 single protein format
CHEMBL250570 OBDepict O NH HN O O N N O O N F IC50 = 0.09 nM 513.49 O=C1NC(=O)C2(CCCN2c2ccc(Oc3ccc(-c4nc(-c5cccc(F)c5)co4)cc3)nc2)C(=O)N1 Homo sapiens CHEMBL941691 single protein format
CHEMBL2425950 OBDepict HO NH O N H S CH 3 CH 3 O O O H 3 C N N N NH S O O F IC50 = 0.09 nM 584.65 COc1ccc(S(=O)(=O)N(CCn2cc(CNS(=O)(=O)c3ccc(F)cc3)nn2)[C@@H](C(=O)NO)C(C)C)cc1 Homo sapiens CHEMBL2429271 single protein format
CHEMBL4084468 OBDepict H N N N O O N H O N N H S O H 3 C CH 3 IC50 = 0.091 nM 454.51 CC(C)c1csc2nc(C(=O)NCc3cccc(OCCOc4nc[nH]n4)c3)[nH]c(=O)c12 Homo sapiens CHEMBL4000924 single protein format
CHEMBL4095557 OBDepict F S N O N H HN O O O N N N H IC50 = 0.093 nM 506.52 O=C(NCc1cccc(OCCOc2nc[nH]n2)c1)c1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1 Homo sapiens CHEMBL4000924 single protein format
CHEMBL440178 OBDepict H 3 C O S N O O H N N H O O OH IC50 = 0.1 nM 461.54 CCCCOc1ccc(S(=O)(=O)N2C/C(=NOCc3ccccc3)C[C@@H]2C(=O)NO)cc1 Homo sapiens CHEMBL873935 single protein format
CHEMBL248941 OBDepict O NH HN O O N N O N N H Cl IC50 = 0.1 nM 502.92 O=C1NC(=O)C2(CCCN2c2ccc(Oc3ccc(-c4nc5ccc(Cl)cc5[nH]4)cc3)nc2)C(=O)N1 Homo sapiens CHEMBL941691 single protein format
CHEMBL1801395 OBDepict HO N S NH O O O O O F F F OH IC50 < 0.1 nM 504.48 O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CCN(CCO)CC1 Homo sapiens CHEMBL1806089 single protein format
CHEMBL1801399 OBDepict HO NH O S O O O O F F F N CH 3 CH 3 IC50 < 0.1 nM 502.51 CC(C)N1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CC1 Homo sapiens CHEMBL1806089 single protein format
CHEMBL1801430 OBDepict OH NH O S O O O O F F F N IC50 = 0.1 nM 500.5 O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CCN(C2CC2)CC1 Homo sapiens CHEMBL1806089 single protein format
CHEMBL1801429 OBDepict HO NH O S O O O O F F F NH IC50 = 0.1 nM 460.43 O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CCNCC1 Homo sapiens CHEMBL1806089 single protein format
CHEMBL1801052 OBDepict HO NH O S O O O O F F F O IC50 < 0.1 nM 461.41 O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CCOCC1 Homo sapiens CHEMBL1806089 single protein format
CHEMBL1801417 OBDepict HO N H O S O O O O H 3 C CH 3 N IC50 = 0.1 nM 474.58 CC(C)Oc1ccc(Oc2ccc(S(=O)(=O)C3(C(=O)NO)CCN(C4CC4)CC3)cc2)cc1 Homo sapiens CHEMBL1806089 single protein format
CHEMBL1801049 OBDepict OH HN O S O O O O H 3 C CH 3 O IC50 = 0.1 nM 435.5 CC(C)Oc1ccc(Oc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cc1 Homo sapiens CHEMBL1806089 single protein format
CHEMBL1801044 OBDepict HO NH O S O O O O IC50 = 0.1 nM 377.42 O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCOCC1 Homo sapiens CHEMBL1806089 single protein format
CHEMBL1771212 OBDepict HO NH O S O O O O F F F N O CH 3 IC50 < 0.1 nM 518.51 COCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CC1 Homo sapiens CHEMBL1771914 single protein format
CHEMBL1910473 OBDepict N O S HN O O H O OH CH 3 CH 3 IC50 = 0.1 nM 464.54 CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(OCc3ccc(C#N)cc3)cc2)cc1)C(=O)O Homo sapiens CHEMBL1913353 single protein format
CHEMBL1910471 OBDepict N O S HN O O H O OH CH 3 CH 3 IC50 = 0.1 nM 464.54 CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(OCc3cccc(C#N)c3)cc2)cc1)C(=O)O Homo sapiens CHEMBL1913353 single protein format
CHEMBL4074089 OBDepict CH 3 O S N O N H NH O O O N N N H IC50 = 0.1 nM 518.56 COc1ccc(-c2csc3nc(C(=O)NCc4cccc(OCCOc5nc[nH]n5)c4)[nH]c(=O)c23)cc1 Homo sapiens CHEMBL4000924 single protein format
CHEMBL1801053 OBDepict OH HN O S O O O S H 3 C O IC50 < 0.1 nM 423.51 CSc1ccc(Oc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cc1 Homo sapiens CHEMBL1806089 single protein format
CHEMBL198778 OBDepict OH HN O NH S O O O IC50 = 0.1 nM 322.34 O=C(CNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)NO Homo sapiens CHEMBL2345602 single protein format
CHEMBL1801431 OBDepict HO NH O S O O O O F F F N N IC50 < 0.1 nM 551.54 O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CCN(Cc2ccccn2)CC1 Homo sapiens CHEMBL1806089 single protein format
CHEMBL1801394 OBDepict H 3 C O N S NH O O O O O F F F OH IC50 < 0.1 nM 532.54 CCOCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CC1 Homo sapiens CHEMBL1806089 single protein format
CHEMBL516206 OBDepict CH 3 N H O NH H O H H N H O H 3 C CH 3 HN OH HN NH 2 IC50 = 0.1 nM 524.67 CNC(=O)[C@H](Cc1ccc(NC(=N)N)cc1)NC(=O)[C@H](CC(C)C)[C@H](CCCc1ccccc1)C(=O)NO Homo sapiens CHEMBL1003623 single protein format
CHEMBL357934 OBDepict CH 3 O S N O O H N NH O O HO CH 3 H 3 C IC50 < 0.1 nM 427.52 CCCCOc1ccc(S(=O)(=O)N2C/C(=NOCC(C)C)C[C@@H]2C(=O)NO)cc1 Homo sapiens CHEMBL873935 single protein format
CHEMBL250972 OBDepict N N O O N N O HN O NH O IC50 = 0.11 nM 520.51 N#Cc1cccc(-c2coc(-c3ccc(Oc4ccc(N5CCCC56C(=O)NC(=O)NC6=O)cn4)cc3)n2)c1 Homo sapiens CHEMBL941691 single protein format
CHEMBL398934 OBDepict O NH HN O O N N O N N H IC50 = 0.11 nM 468.47 O=C1NC(=O)C2(CCCN2c2ccc(Oc3ccc(-c4nc5ccccc5[nH]4)cc3)nc2)C(=O)N1 Homo sapiens CHEMBL941691 single protein format
CHEMBL3955430 OBDepict O N N N N N H H O HN O N N H O IC50 = 0.11 nM 488.51 O=C(NCc1cccc(N2CCN(C(=O)Cc3n[nH]c(=O)[nH]3)CC2)c1)c1nc2ccccc2c(=O)[nH]1 Homo sapiens CHEMBL3868397 single protein format
CHEMBL3959990 OBDepict CH 3 O N H O N N H S O Cl IC50 = 0.12 nM 425.9 COc1cccc(CNC(=O)c2nc3scc(-c4cccc(Cl)c4)c3c(=O)[nH]2)c1 Homo sapiens CHEMBL3868397 single protein format
CHEMBL398468 OBDepict O NH HN O O N N O O N F IC50 = 0.12 nM 513.49 O=C1NC(=O)C2(CCCN2c2ccc(Oc3ccc(-c4nc(-c5ccc(F)cc5)co4)cc3)nc2)C(=O)N1 Homo sapiens CHEMBL941691 single protein format
CHEMBL3337888 OBDepict CH 3 O HN O N N H S O O F IC50 = 0.13 nM 453.5 COc1cccc(CNC(=O)c2nc3scc(COCc4ccc(F)cc4)c3c(=O)[nH]2)c1 Homo sapiens CHEMBL3373425 single protein format
CHEMBL4104248 OBDepict F S N O N H N H O O O N N N H IC50 = 0.14 nM 520.55 O=C(NCc1cccc(OCCCOc2nc[nH]n2)c1)c1nc2scc(-c3cccc(F)c3)c2c(=O)[nH]1 Homo sapiens CHEMBL4000924 single protein format
CHEMBL1801046 OBDepict HO NH O S O O O Cl O IC50 = 0.15 nM 411.86 O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1 Homo sapiens CHEMBL1806089 single protein format
CHEMBL410029 OBDepict CH 3 O N O N O OH IC50 = 0.15 nM 424.46 COc1ccc(CC#Cc2ccc3ncn(Cc4ccc(C(=O)O)cc4)c(=O)c3c2)cc1 Homo sapiens CHEMBL930770 single protein format
CHEMBL3359089 OBDepict CH 3 O HN O N N H O O F F IC50 = 0.15 nM 465.46 COc1cccc(CNC(=O)c2nc3ccc(F)c(OCCc4ccc(F)cc4)c3c(=O)[nH]2)c1 Homo sapiens CHEMBL3388707 single protein format
CHEMBL596273 OBDepict CH 3 O N H O N H 3 C N N N N H H O HO Ki = 0.16 nM 464.53 COc1cccc(CNC(=O)c2cc(-c3nnn(C[C@H]4CC[C@H](C(=O)O)CC4)n3)cc(C)n2)c1 Homo sapiens CHEMBL1069934 single protein format
CHEMBL250363 OBDepict O HN NH O O N N O O N F IC50 = 0.16 nM 513.49 O=C1NC(=O)C2(CCCN2c2ccc(Oc3ccc(-c4nc(-c5ccccc5F)co4)cc3)nc2)C(=O)N1 Homo sapiens CHEMBL941691 single protein format
CHEMBL3359085 OBDepict CH 3 O NH O N N H O NH O IC50 = 0.16 nM 442.48 COc1cccc(CNC(=O)c2nc3cccc(CC(=O)Nc4ccccc4)c3c(=O)[nH]2)c1 Homo sapiens CHEMBL3388707 single protein format
CHEMBL3971135 OBDepict O N H N N H O S HN O O H O OH CH 3 CH 3 IC50 = 0.17 nM 534.59 CC(C)[C@H](NS(=O)(=O)c1ccc(-c2cccc(CNC(=O)c3nc4ccccc4c(=O)[nH]3)c2)cc1)C(=O)O Homo sapiens CHEMBL3868397 single protein format
CHEMBL605742 OBDepict CH 3 O HN O N CH 3 N N N N O HO Ki = 0.18 nM 458.48 COc1cccc(CNC(=O)c2cc(-c3nnn(Cc4ccc(C(=O)O)cc4)n3)cc(C)n2)c1 Homo sapiens CHEMBL1069934 single protein format
CHEMBL466059 OBDepict CH 3 O S S NH O O H O HO N O O H 3 C CH 3 Ki = 0.19 nM 510.63 CCOc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)O)C3CCN(C(=O)OC(C)C)CC3)s2)cc1 Homo sapiens CHEMBL972392 single protein format
CHEMBL3907881 OBDepict O HN NH O N O N N H O N N H O IC50 = 0.19 nM 503.52 O=C1NC(=O)C(CC(=O)N2CCN(c3cccc(CNC(=O)c4nc5ccccc5c(=O)[nH]4)c3)CC2)N1 Homo sapiens CHEMBL3868397 single protein format
CHEMBL3617407 OBDepict HO N H O N H S O O O O CH 3 N H 3 C CH 3 O O IC50 = 0.19 nM 567.62 COc1ccc(-c2ccc(S(=O)(=O)N(OC(C)C)[C@H](CCN3C(=O)c4ccccc4C3=O)C(=O)NO)cc2)cc1 Homo sapiens CHEMBL3620107 single protein format
CHEMBL3337887 OBDepict CH 3 O HN O N N H S O O IC50 = 0.19 nM 435.51 COc1cccc(CNC(=O)c2nc3scc(COCc4ccccc4)c3c(=O)[nH]2)c1 Homo sapiens CHEMBL3373425 single protein format
CHEMBL1801397 OBDepict CH N S N H O O O O O F F F OH IC50 = 0.2 nM 498.48 C#CCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CC1 Homo sapiens CHEMBL1806089 single protein format
CHEMBL4083954 OBDepict H N N N S O N H O N N H O IC50 = 0.2 nM 422.47 O=C(NCc1cccc(OCCSc2nc[nH]n2)c1)c1nc2ccccc2c(=O)[nH]1 Homo sapiens CHEMBL4000924 single protein format
CHEMBL1801396 OBDepict HO NH O S O O O O F F F N O CH 3 IC50 = 0.2 nM 502.47 CC(=O)N1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CC1 Homo sapiens CHEMBL1806089 single protein format
CHEMBL150655 OBDepict OH N H O H N S N O O O H 3 C OH IC50 = 0.2 nM 329.33 COc1ccc(S(=O)(=O)N2C/C(=NO)C[C@@H]2C(=O)NO)cc1 Homo sapiens CHEMBL873935 single protein format
CHEMBL344633 OBDepict OH N H O H N S CH 3 CH 3 S O O S N IC50 < 0.2 nM 427.57 CC1(C)SCCCN(S(=O)(=O)c2ccc(-c3ccccn3)s2)[C@H]1C(=O)NO Homo sapiens CHEMBL877754 single protein format
CHEMBL346442 OBDepict OH N H O H N S N O O O F O H 3 C H 3 C CH 3 IC50 = 0.2 nM 465.5 CC(C)(C)O/N=C1/C[C@H](C(=O)NO)N(S(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)C1 Homo sapiens CHEMBL873935 single protein format
CHEMBL150483 OBDepict OH N H O H N S N O O O N O H 3 C IC50 < 0.2 nM 406.42 CO/N=C1/C[C@H](C(=O)NO)N(S(=O)(=O)c2ccc(Oc3ccncc3)cc2)C1 Homo sapiens CHEMBL873935 single protein format