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Q13231 | CHIT1_HUMAN | Chitotriosidase-1 (CHIT1)

3D structures mapped by conservation among orthologs

[ Domain: "Invertebrate chitin-binding proteins" // CBM_14 ]

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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
CHEMBL4776610 OBDepict H 3 C H O N H N N N Cl H N H 2 N IC50 = 14.0 nM 404.95 CC[C@H]1CN(C2CCN(c3nc(N)n[nH]3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1 Homo sapiens CHEMBL4704014 cell-based format
CHEMBL4756869 OBDepict CH 3 CH 3 H O N H N N N Cl H N NH 2 IC50 = 16.0 nM 433.0 CC(C)C[C@H]1CN(C2CCN(c3nc(N)n[nH]3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1 Homo sapiens CHEMBL4704014 cell-based format
CHEMBL4788866 OBDepict Cl H N O H H 3 C N N N H N H 2 N Ki = 17.3 nM 390.92 C[C@H]1CN(C2CCN(c3nc(N)n[nH]3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1 Homo sapiens CHEMBL4704014 cell-based format
CHEMBL4794014 OBDepict H 3 C CH 3 H O N H N N N Cl H N H 2 N IC50 = 18.0 nM 418.97 CC(C)[C@H]1CN(C2CCN(c3nc(N)n[nH]3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1 Homo sapiens CHEMBL4704014 cell-based format
CHEMBL4464754 OBDepict Cl N O N N N H N H 2 N IC50 = 21.0 nM 418.97 Nc1n[nH]c(N2CCC(N(CCc3ccc(Cl)cc3)CC3CCCCO3)CC2)n1 Homo sapiens CHEMBL4312826 cell-based format
CHEMBL4789376 OBDepict OH H O N H N N N Cl H N NH 2 IC50 = 22.0 nM 406.92 Nc1n[nH]c(N2CCC(N3C[C@H](CO)OC[C@@H]3Cc3ccc(Cl)cc3)CC2)n1 Homo sapiens CHEMBL4704014 cell-based format
CHEMBL4755139 OBDepict CH 3 O H O N H N N N Cl H N NH 2 IC50 = 22.0 nM 420.95 COC[C@H]1CN(C2CCN(c3nc(N)n[nH]3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1 Homo sapiens CHEMBL4704014 cell-based format
CHEMBL4764430 OBDepict Cl H N O H HO CH 3 CH 3 N N N H N NH 2 IC50 = 23.0 nM 434.97 CC(C)(O)[C@H]1CN(C2CCN(c3nc(N)n[nH]3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1 Homo sapiens CHEMBL4704014 cell-based format
CHEMBL4788866 OBDepict Cl H N O H H 3 C N N N H N H 2 N IC50 = 23.0 nM 390.92 C[C@H]1CN(C2CCN(c3nc(N)n[nH]3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1 Homo sapiens CHEMBL4704014 cell-based format
CHEMBL4541831 OBDepict Cl N O N N N H N NH 2 IC50 = 27.0 nM 404.95 Nc1n[nH]c(N2CCC(N(CCc3ccc(Cl)cc3)CC3CCCO3)CC2)n1 Homo sapiens CHEMBL4312826 cell-based format
CHEMBL4749391 OBDepict H 3 C N H O H O N H N N N Cl H N H 2 N IC50 = 32.0 nM 433.94 CNC(=O)[C@H]1CN(C2CCN(c3nc(N)n[nH]3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1 Homo sapiens CHEMBL4704014 cell-based format
CHEMBL4084573 OBDepict Cl N N N N H N H 2 N IC50 = 36.0 nM 461.01 Nc1n[nH]c(N2CCC(N(CCc3ccc(Cl)cc3)Cc3cccc4ccccc34)CC2)n1 Homo sapiens CHEMBL4022941 cell-based format
CHEMBL4580568 OBDepict Cl H N N N N H N NH 2 IC50 = 41.0 nM 374.92 Nc1n[nH]c(N2CCC(N3CCCC[C@@H]3Cc3ccc(Cl)cc3)CC2)n1 Homo sapiens CHEMBL4312826 cell-based format
CHEMBL4470253 OBDepict CH 3 O H N H N N N Cl H N H 2 N IC50 = 44.0 nM 390.92 CO[C@@H]1C[C@H](Cc2ccc(Cl)cc2)N(C2CCN(c3nc(N)n[nH]3)CC2)C1 Homo sapiens CHEMBL4312826 cell-based format
CHEMBL4520755 OBDepict CH 3 O H 3 C H N N N N H N Cl NH 2 IC50 = 44.0 nM 392.94 CO[C@@H](C)CN(CCc1ccc(Cl)cc1)C1CCN(c2nc(N)n[nH]2)CC1 Homo sapiens CHEMBL4312826 cell-based format
CHEMBL4537828 OBDepict CH 3 O H N H N N N Cl H N H 2 N IC50 = 47.0 nM 390.92 CO[C@H]1C[C@H](Cc2ccc(Cl)cc2)N(C2CCN(c3nc(N)n[nH]3)CC2)C1 Homo sapiens CHEMBL4312826 cell-based format
CHEMBL4461925 OBDepict Cl H N O N N N H N NH 2 IC50 = 48.0 nM 376.89 Nc1n[nH]c(N2CCC(N3CCOC[C@@H]3Cc3ccc(Cl)cc3)CC2)n1 Homo sapiens CHEMBL4312826 cell-based format
CHEMBL4637417 OBDepict Cl N N OH N N N NH 2 H IC50 = 49.0 nM 426.95 Nc1nc(N2CCC(N(CCc3ccc(Cl)cc3)Cc3ccccc3O)CC2)n[nH]1 Homo sapiens CHEMBL4619015 cell-based format
CHEMBL4549449 OBDepict CH 3 N H O NH N N O N Ki = 49.0 nM 449.51 CC(NC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)c1=N)c1ccccc1 Homo sapiens CHEMBL4357688 assay format
CHEMBL4588384 OBDepict Cl H N N N N H N H 2 N IC50 = 59.0 nM 360.89 Nc1n[nH]c(N2CCC(N3CCC[C@@H]3Cc3ccc(Cl)cc3)CC2)n1 Homo sapiens CHEMBL4312826 cell-based format
CHEMBL4634943 OBDepict OH N N N N N Cl H NH 2 IC50 = 79.0 nM 426.95 Nc1nc(N2CCC(N(CCc3ccc(Cl)cc3)Cc3cccc(O)c3)CC2)n[nH]1 Homo sapiens CHEMBL4619015 cell-based format
CHEMBL4442663 OBDepict Cl H N H OH N N N H N NH 2 IC50 = 82.0 nM 376.89 Nc1n[nH]c(N2CCC(N3C[C@@H](O)C[C@@H]3Cc3ccc(Cl)cc3)CC2)n1 Homo sapiens CHEMBL4312826 cell-based format
CHEMBL4521547 OBDepict CH 3 O N N N N H N Cl NH 2 IC50 = 84.0 nM 378.91 COCCN(CCc1ccc(Cl)cc1)C1CCN(c2nc(N)n[nH]2)CC1 Homo sapiens CHEMBL4312826 cell-based format
CHEMBL4547227 OBDepict Cl H N H OH N N N H N NH 2 IC50 = 87.0 nM 376.89 Nc1n[nH]c(N2CCC(N3C[C@H](O)C[C@@H]3Cc3ccc(Cl)cc3)CC2)n1 Homo sapiens CHEMBL4312826 cell-based format
CHEMBL4646309 OBDepict Cl N N N N N Cl H NH 2 IC50 = 90.0 nM 445.4 Nc1nc(N2CCC(N(CCc3ccc(Cl)cc3)Cc3ccc(Cl)cc3)CC2)n[nH]1 Homo sapiens CHEMBL4619015 cell-based format
CHEMBL4098997 OBDepict CH 3 N N N N H N Br NH 2 IC50 = 105.0 nM 393.33 CCN(CCc1ccc(Br)cc1)C1CCN(c2nc(N)n[nH]2)CC1 Homo sapiens CHEMBL4022941 cell-based format
CHEMBL4082060 OBDepict Cl N N N N H N H 2 N IC50 = 123.0 nM 417.0 Nc1n[nH]c(N2CCC(N(CCc3ccc(Cl)cc3)CC3CCCCC3)CC2)n1 Homo sapiens CHEMBL4022941 cell-based format
CHEMBL4068944 OBDepict CH 3 CH 3 N N N N H N Br NH 2 IC50 = 123.0 nM 421.39 CC(C)CN(CCc1ccc(Br)cc1)C1CCN(c2nc(N)n[nH]2)CC1 Homo sapiens CHEMBL4022941 cell-based format
CHEMBL4464943 OBDepict Cl N HO CH 3 H N N N H N NH 2 IC50 = 145.0 nM 378.91 C[C@H](O)CN(CCc1ccc(Cl)cc1)C1CCN(c2nc(N)n[nH]2)CC1 Homo sapiens CHEMBL4312826 cell-based format
CHEMBL4077644 OBDepict Cl N N Cl N N H N H 2 N IC50 = 149.0 nM 445.4 Nc1n[nH]c(N2CCC(N(CCc3ccc(Cl)cc3)Cc3ccccc3Cl)CC2)n1 Homo sapiens CHEMBL4022941 cell-based format
CHEMBL4077482 OBDepict Cl N N N N H N H 2 N IC50 = 163.0 nM 410.95 Nc1n[nH]c(N2CCC(N(CCc3ccc(Cl)cc3)Cc3ccccc3)CC2)n1 Homo sapiens CHEMBL4022941 cell-based format
CHEMBL4086986 OBDepict CH 3 N N N N H N Br NH 2 IC50 = 175.0 nM 379.31 CN(CCc1ccc(Br)cc1)C1CCN(c2nc(N)n[nH]2)CC1 Homo sapiens CHEMBL4022941 cell-based format
CHEMBL4649081 OBDepict Cl N N N N N Cl H NH 2 IC50 = 176.0 nM 445.4 Nc1nc(N2CCC(N(CCc3ccc(Cl)cc3)Cc3cccc(Cl)c3)CC2)n[nH]1 Homo sapiens CHEMBL4619015 cell-based format
CHEMBL4440077 OBDepict Cl N O N N N H N NH 2 IC50 = 180.0 nM 376.89 Nc1n[nH]c(N2CCC(N(CCc3ccc(Cl)cc3)C3COC3)CC2)n1 Homo sapiens CHEMBL4312826 cell-based format
CHEMBL4632547 OBDepict F Cl N N N N N Cl H NH 2 IC50 = 200.0 nM 463.39 Nc1nc(N2CCC(N(CCc3ccc(Cl)cc3)Cc3ccc(F)cc3Cl)CC2)n[nH]1 Homo sapiens CHEMBL4619015 cell-based format
CHEMBL4076989 OBDepict CH 3 CH 3 N N N N H N Cl NH 2 IC50 = 232.0 nM 376.94 CC(C)CN(CCc1ccc(Cl)cc1)C1CCN(c2nc(N)n[nH]2)CC1 Homo sapiens CHEMBL4022941 cell-based format
CHEMBL4635305 OBDepict Cl H N N H 3 C N N N N NH 2 H IC50 = 275.0 nM 452.01 CN1C[C@H](Cc2ccc(Cl)cc2)N(C2CCN(c3n[nH]c(N)n3)CC2)Cc2ccccc21 Homo sapiens CHEMBL4619015 cell-based format
CHEMBL4646247 OBDepict F F N N N N N Cl NH 2 H IC50 = 277.0 nM 446.93 Nc1nc(N2CCC(N(CCc3ccc(Cl)cc3)Cc3cc(F)ccc3F)CC2)n[nH]1 Homo sapiens CHEMBL4619015 cell-based format
CHEMBL4642053 OBDepict Cl N N N N F F F N H H 2 N IC50 = 310.0 nM 478.95 Nc1nc(N2CCC(N(CCc3ccc(Cl)cc3)Cc3cccc(C(F)(F)F)c3)CC2)n[nH]1 Homo sapiens CHEMBL4619015 cell-based format
CHEMBL4076989 OBDepict CH 3 CH 3 N N N N H N Cl NH 2 Ki = 312.0 nM 376.94 CC(C)CN(CCc1ccc(Cl)cc1)C1CCN(c2nc(N)n[nH]2)CC1 Homo sapiens CHEMBL4022945 cell-based format
CHEMBL4460797 OBDepict Cl N HO CH 3 H N N N H N NH 2 IC50 = 330.0 nM 378.91 C[C@@H](O)CN(CCc1ccc(Cl)cc1)C1CCN(c2nc(N)n[nH]2)CC1 Homo sapiens CHEMBL4312826 cell-based format
CHEMBL4644319 OBDepict H 2 C O N H N N N N Cl H H 2 N IC50 = 350.0 nM 402.93 C=C1COC[C@H](Cc2ccc(Cl)cc2)N(C2CCN(c3n[nH]c(N)n3)CC2)C1 Homo sapiens CHEMBL4619015 cell-based format
CHEMBL4577776 OBDepict HO N N N N H N Cl NH 2 IC50 = 384.0 nM 364.88 Nc1n[nH]c(N2CCC(N(CCO)CCc3ccc(Cl)cc3)CC2)n1 Homo sapiens CHEMBL4312826 cell-based format
CHEMBL4072036 OBDepict CH 3 N N N N H N Cl NH 2 IC50 = 385.0 nM 348.88 CCN(CCc1ccc(Cl)cc1)C1CCN(c2nc(N)n[nH]2)CC1 Homo sapiens CHEMBL4022941 cell-based format
CHEMBL4065553 OBDepict CH 3 N N N N H N Cl NH 2 IC50 = 389.0 nM 334.86 CN(CCc1ccc(Cl)cc1)C1CCN(c2nc(N)n[nH]2)CC1 Homo sapiens CHEMBL4022941 cell-based format
CHEMBL4446970 OBDepict Cl N HO CH 3 CH 3 N N N H N NH 2 IC50 = 395.0 nM 392.94 CC(C)(O)CN(CCc1ccc(Cl)cc1)C1CCN(c2nc(N)n[nH]2)CC1 Homo sapiens CHEMBL4312826 cell-based format
CHEMBL4643001 OBDepict Cl N N CH 3 H N N N N Cl H 2 N H IC50 = 420.0 nM 486.45 CN1C[C@H](Cc2ccc(Cl)cc2)N(C2CCN(c3n[nH]c(N)n3)CC2)Cc2cc(Cl)ccc21 Homo sapiens CHEMBL4619015 cell-based format
CHEMBL4472377 OBDepict CH 3 N H O N N N N H N Cl NH 2 IC50 = 495.0 nM 405.93 CC(=O)NCCN(CCc1ccc(Cl)cc1)C1CCN(c2nc(N)n[nH]2)CC1 Homo sapiens CHEMBL4312826 cell-based format
CHEMBL4546929 OBDepict CH 3 O CH 3 H 3 C N N N N H N Cl NH 2 IC50 = 505.0 nM 406.96 COC(C)(C)CN(CCc1ccc(Cl)cc1)C1CCN(c2nc(N)n[nH]2)CC1 Homo sapiens CHEMBL4312826 cell-based format
CHEMBL4442416 OBDepict CH 3 O H 3 C H N N N N H N Cl NH 2 IC50 = 530.0 nM 392.94 CO[C@H](C)CN(CCc1ccc(Cl)cc1)C1CCN(c2nc(N)n[nH]2)CC1 Homo sapiens CHEMBL4312826 cell-based format
CHEMBL4466293 OBDepict CH 3 O H N H N Cl N N H N H 2 N IC50 = 580.0 nM 376.89 CO[C@H]1CN(C2CCN(c3nc(N)n[nH]3)CC2)[C@H]1Cc1ccc(Cl)cc1 Homo sapiens CHEMBL4312826 cell-based format
CHEMBL4637250 OBDepict Cl N N Cl N N N N H NH 2 IC50 = 620.0 nM 446.39 Nc1nc(N2CCC(N(CCc3ccc(Cl)cc3)Cc3ccncc3Cl)CC2)n[nH]1 Homo sapiens CHEMBL4619015 cell-based format
CHEMBL4091907 OBDepict H 3 C N N N N H N NH 2 IC50 = 765.0 nM 340.48 CN(CCc1ccc(C2CC2)cc1)C1CCN(c2nc(N)n[nH]2)CC1 Homo sapiens CHEMBL4022941 cell-based format
CHEMBL4453964 OBDepict CH 3 HN S O O N N N N H N Cl NH 2 IC50 = 870.0 nM 441.99 CNS(=O)(=O)CCN(CCc1ccc(Cl)cc1)C1CCN(c2nc(N)n[nH]2)CC1 Homo sapiens CHEMBL4312826 cell-based format
CHEMBL4640857 OBDepict Cl H N O N N N N H 2 N H IC50 = 915.0 nM 438.96 Nc1nc(N2CCC(N3Cc4ccccc4OC[C@@H]3Cc3ccc(Cl)cc3)CC2)n[nH]1 Homo sapiens CHEMBL4619015 cell-based format
CHEMBL4648962 OBDepict F O N H N N N N Cl NH 2 H IC50 = 930.0 nM 456.95 Nc1nc(N2CCC(N3Cc4cc(F)ccc4OC[C@@H]3Cc3ccc(Cl)cc3)CC2)n[nH]1 Homo sapiens CHEMBL4619015 cell-based format
CHEMBL4075848 OBDepict Cl N H 3 C CH 3 N N N H N NH 2 IC50 = 945.0 nM 362.91 CC(C)N(CCc1ccc(Cl)cc1)C1CCN(c2nc(N)n[nH]2)CC1 Homo sapiens CHEMBL4022941 cell-based format