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P21730 | C5AR1_HUMAN | C5a anaphylatoxin chemotactic receptor 1 (C5AR1)

3D structures mapped by conservation among orthologs

[ Domain: "Family A G protein-coupled receptor-like" // 7tm_1_1 ]

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[ Domain: "Cytochromes" // Cytochrom_B562_1 ]

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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
CHEMBL486749 OBDepict H 3 C CH 3 N O O O Cl IC50 = 1.5 nM 456.03 CC(C)Cc1ccccc1C(=O)N(CCc1ccc(Cl)cc1)C1CCC2(CC1)OCCO2 Homo sapiens CHEMBL1008821 cell-based format
CHEMBL465377 OBDepict CH 3 O O N O O O Cl IC50 = 3.0 nM 522.04 CCOC(=O)C(Cc1ccc(Cl)cc1)N(C(=O)c1cccc2ccccc12)C1CCC2(CC1)OCCO2 Homo sapiens CHEMBL1019502 cell-based format
CHEMBL471017 OBDepict CH 3 O O N O S O O Cl IC50 = 5.0 nM 528.07 CCOC(=O)C(Cc1ccc(Cl)cc1)N(C(=O)c1csc2ccccc12)C1CCC2(CC1)OCCO2 Homo sapiens CHEMBL1008821 cell-based format
CHEMBL520715 OBDepict Cl N H O S O IC50 = 5.0 nM 454.04 O=C(c1csc2ccccc12)N(CCc1ccc(Cl)cc1)[C@H]1CC[C@]2(CCCO2)CC1 Homo sapiens CHEMBL1008821 cell-based format
CHEMBL259563 OBDepict CH 3 O N N CH 3 CH 3 CH 3 Ki = 7.3 nM 450.63 CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2N(C)c1cccc2ccccc12 Homo sapiens CHEMBL923542 cell-based format
CHEMBL513964 OBDepict H 3 C N O N N O H 3 C O O Cl IC50 = 8.0 nM 510.03 CCc1ccccc1C(=O)N(C1CCC2(CC1)OCCO2)C(Cc1ccc(Cl)cc1)c1noc(C)n1 Homo sapiens CHEMBL1019502 cell-based format
CHEMBL259769 OBDepict CH 3 O N N H 3 C CH 3 CH 3 Ki = 8.9 nM 464.65 CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2N(CC)c1cccc2ccccc12 Homo sapiens CHEMBL923542 cell-based format
CHEMBL262330 OBDepict CH 3 O N N CH 3 H 3 C F F F Ki = 9.7 nM 494.6 CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2N1CCc2cccc(C(F)(F)F)c2C1 Homo sapiens CHEMBL923542 cell-based format
CHEMBL481482 OBDepict CH 3 O N N H CH 3 CH 3 CH 3 O H 3 C Ki = 10.0 nM 430.59 CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2Nc1cc(OC)ccc1C Homo sapiens CHEMBL991045 cell-based format
CHEMBL513344 OBDepict CH 3 O N O S O O Cl IC50 = 12.0 nM 500.06 COCC(Cc1ccc(Cl)cc1)N(C(=O)c1csc2ccccc12)C1CCC2(CC1)OCCO2 Homo sapiens CHEMBL1019502 cell-based format
CHEMBL479395 OBDepict CH 3 O N N H CH 3 CH 3 HO Cl Ki = 13.0 nM 451.01 CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2Nc1ccc(Cl)cc1CO Homo sapiens CHEMBL991045 cell-based format
CHEMBL468430 OBDepict H 3 C N CH 3 N O O O Cl IC50 = 13.0 nM 507.07 CN(C)CC(Cc1ccc(Cl)cc1)N(C(=O)c1cccc2ccccc12)C1CCC2(CC1)OCCO2 Homo sapiens CHEMBL1019502 cell-based format
CHEMBL514872 OBDepict H 3 C O O N O S O O Cl IC50 = 15.0 nM 514.04 COC(=O)C(Cc1ccc(Cl)cc1)N(C(=O)c1csc2ccccc12)C1CCC2(CC1)OCCO2 Homo sapiens CHEMBL1019502 cell-based format
CHEMBL486953 OBDepict CH 3 N O O O Cl IC50 = 18.0 nM 427.97 CCc1ccccc1C(=O)N(CCc1ccc(Cl)cc1)C1CCC2(CC1)OCCO2 Homo sapiens CHEMBL1008821 cell-based format
CHEMBL480723 OBDepict HO N H O N CH 3 CH 3 CH 3 Ki = 21.0 nM 430.59 CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2Nc1ccccc1CCO Homo sapiens CHEMBL991045 cell-based format
CHEMBL68555 OBDepict H 2 N HN NH H N H O N O H N O IC50 = 25.0 nM 522.69 N=C(N)NCCC[C@H]1NC(=O)N([C@H](CC2CCCCC2)C(=O)N2CCC3(CCc4ccccc43)CC2)C1=O Homo sapiens CHEMBL652979 assay format
CHEMBL467571 OBDepict H 3 C N O N H 3 C CH 3 O O Cl IC50 = 27.0 nM 485.07 CCc1ccccc1C(=O)N(C1CCC2(CC1)OCCO2)C(Cc1ccc(Cl)cc1)CN(C)C Homo sapiens CHEMBL1019502 cell-based format
CHEMBL308932 OBDepict H 2 N HN NH H NH O N O H N O IC50 = 30.0 nM 496.66 N=C(N)NCCC[C@H]1NC(=O)N([C@H](CC2CCCCC2)C(=O)N2CCC(c3ccccc3)CC2)C1=O Homo sapiens CHEMBL652979 assay format
CHEMBL463115 OBDepict Cl N O S N N H O F F IC50 = 31.0 nM 554.06 O=C(Nc1ccc(F)cc1F)N1CCC(N(CCc2ccc(Cl)cc2)C(=O)c2csc3ccccc23)CC1 Homo sapiens CHEMBL1008821 cell-based format
CHEMBL471210 OBDepict Cl H 3 C N O S O O IC50 = 35.0 nM 470.03 CC(CN(C(=O)c1csc2ccccc12)C1CCC2(CC1)OCCO2)c1ccc(Cl)cc1 Homo sapiens CHEMBL1008821 cell-based format
CHEMBL258658 OBDepict CH 3 O N N CH 3 H 3 C Ki = 35.0 nM 426.6 CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2N1CCc2ccccc2C1 Homo sapiens CHEMBL923542 cell-based format
CHEMBL420736 OBDepict NH 2 N H 2 N H N H O N O H N O N H 3 C IC50 = 40.0 nM 511.67 Cc1ccccc1N1CCN(C(=O)[C@@H](CC2CCCCC2)N2C(=O)N[C@H](CCCN=C(N)N)C2=O)CC1 Homo sapiens CHEMBL652979 assay format
CHEMBL302063 OBDepict NH 2 N H 2 N H N H O N O H N O N H 3 C CH 3 IC50 = 40.0 nM 525.7 Cc1cccc(C)c1N1CCN(C(=O)[C@@H](CC2CCCCC2)N2C(=O)N[C@H](CCCN=C(N)N)C2=O)CC1 Homo sapiens CHEMBL652979 assay format
CHEMBL468429 OBDepict Cl N O H 3 C O S O O IC50 = 45.0 nM 498.04 CC(=O)C(Cc1ccc(Cl)cc1)N(C(=O)c1csc2ccccc12)C1CCC2(CC1)OCCO2 Homo sapiens CHEMBL1019502 cell-based format
CHEMBL457790 OBDepict N N S O O IC50 = 47.0 nM 436.62 c1ccc2c(-c3ncc(CC4CCCCC4)n3C3CCC4(CC3)OCCO4)csc2c1 Homo sapiens CHEMBL1019502 cell-based format
CHEMBL431761 OBDepict NH 2 N H 2 N H N H O N O H N O N H 3 C CH 3 IC50 = 60.0 nM 525.7 Cc1ccc(N2CCN(C(=O)[C@@H](CC3CCCCC3)N3C(=O)N[C@H](CCCN=C(N)N)C3=O)CC2)c(C)c1 Homo sapiens CHEMBL652979 assay format
CHEMBL487167 OBDepict Cl N H O S H OH IC50 = 70.0 nM 413.97 O=C(c1csc2ccccc12)N(CCc1ccc(Cl)cc1)[C@H]1CC[C@H](O)CC1 Homo sapiens CHEMBL1008821 cell-based format
CHEMBL519540 OBDepict Cl N O S O O IC50 = 75.0 nM 456.01 O=C(c1csc2ccccc12)N(CCc1ccc(Cl)cc1)C1CCC2(CC1)OCCO2 Homo sapiens CHEMBL1008821 cell-based format
CHEMBL488388 OBDepict Cl N O O O IC50 = 80.0 nM 449.98 O=C(c1cccc2ccccc12)N(CCc1ccc(Cl)cc1)C1CCC2(CC1)OCCO2 Homo sapiens CHEMBL1008821 cell-based format
CHEMBL259643 OBDepict CH 3 O N N H 3 C CH 3 Ki = 86.0 nM 436.6 CCc1ccccc1-c1cc(OC)c2c(n1)CCCC2N(CC)c1cccc2ccccc12 Homo sapiens CHEMBL923542 cell-based format
CHEMBL471018 OBDepict H 3 C O O N O S O O IC50 = 89.0 nM 485.65 COC(=O)C(CC1CCCCC1)N(C(=O)c1csc2ccccc12)C1CCC2(CC1)OCCO2 Homo sapiens CHEMBL1008821 cell-based format
CHEMBL469527 OBDepict Cl H 3 C H 3 C N O S O O IC50 = 90.0 nM 484.06 CC(C)(CN(C(=O)c1csc2ccccc12)C1CCC2(CC1)OCCO2)c1ccc(Cl)cc1 Homo sapiens CHEMBL1008821 cell-based format
CHEMBL460167 OBDepict Cl N N O O IC50 = 90.0 nM 458.99 Clc1ccc(Cc2cnc(-c3cccc4ccccc34)n2C2CCC3(CC2)OCCO3)cc1 Homo sapiens CHEMBL1019502 cell-based format
CHEMBL514743 OBDepict Cl N CH 3 N S O O IC50 = 90.0 nM 479.05 Cc1nc(-c2csc3ccccc23)n(C2CCC3(CC2)OCCO3)c1Cc1ccc(Cl)cc1 Homo sapiens CHEMBL1019502 cell-based format
CHEMBL471009 OBDepict Cl N O O O N IC50 = 110.0 nM 450.97 O=C(c1cccc2cnccc12)N(CCc1ccc(Cl)cc1)C1CCC2(CC1)OCCO2 Homo sapiens CHEMBL1008821 cell-based format
CHEMBL518254 OBDepict Cl N H O H HO IC50 = 125.0 nM 407.94 O=C(c1cccc2ccccc12)N(CCc1ccc(Cl)cc1)[C@H]1CC[C@H](O)CC1 Homo sapiens CHEMBL1008821 cell-based format
CHEMBL486748 OBDepict H 3 C O N O O O Cl IC50 = 175.0 nM 443.97 COCc1ccccc1C(=O)N(CCc1ccc(Cl)cc1)C1CCC2(CC1)OCCO2 Homo sapiens CHEMBL1008821 cell-based format
CHEMBL485769 OBDepict Cl N O S IC50 = 175.0 nM 397.97 O=C(c1csc2ccccc12)N(CCc1ccc(Cl)cc1)C1CCCCC1 Homo sapiens CHEMBL1008821 cell-based format
CHEMBL410032 OBDepict H 3 C N Cl N H 3 C CH 3 Ki = 180.0 nM 469.07 CCc1cccc(CC)c1-c1cc(Cl)c2c(n1)CCCC2N(CC)c1cccc2ccccc12 Homo sapiens CHEMBL923542 cell-based format
CHEMBL260176 OBDepict OH N O N CH 3 H 3 C H 3 C Ki = 180.0 nM 480.65 CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2N(CCO)c1cccc2ccccc12 Homo sapiens CHEMBL923542 cell-based format
CHEMBL485766 OBDepict Cl N H O S H OH IC50 = 200.0 nM 413.97 O=C(c1csc2ccccc12)N(CCc1ccc(Cl)cc1)[C@H]1CC[C@@H](O)CC1 Homo sapiens CHEMBL1008821 cell-based format
CHEMBL487141 OBDepict Cl N H O S O IC50 = 200.0 nM 454.04 O=C(c1csc2ccccc12)N(CCc1ccc(Cl)cc1)[C@H]1CC[C@@]2(CCCO2)CC1 Homo sapiens CHEMBL1008821 cell-based format
CHEMBL595990 OBDepict H 3 C N S O O H 3 C N S H 3 C O O H 3 C IC50 = 200.0 nM 444.58 Cc1ccc(S(=O)(=O)N(C)c2ccccc2N(C)S(=O)(=O)c2ccc(C)cc2)cc1 Homo sapiens CHEMBL1072544 cell-based format
CHEMBL1790511 OBDepict CH 3 CH 3 H N H N O O N H O H N H 2 N NH 2 IC50 = 200.0 nM 482.63 CC[C@@H](C)[C@H](C(=O)N1CCC2(CCc3ccccc32)CC1)N1C(=O)N[C@H](CCCN=C(N)N)C1=O Homo sapiens CHEMBL652979 assay format
CHEMBL468625 OBDepict CH 3 N O H N O O Cl O IC50 = 200.0 nM 541.13 CCc1ccccc1C(=O)N(C1CCC2(CC1)OCCO2)[C@H](CCN1CCOCC1)Cc1ccc(Cl)cc1 Homo sapiens CHEMBL1019502 cell-based format
CHEMBL519730 OBDepict Cl N O S N F F IC50 = 200.0 nM 539.09 O=C(c1csc2ccccc12)N(CCc1ccc(Cl)cc1)C1CCN(CCc2ccc(F)cc2F)CC1 Homo sapiens CHEMBL1008821 cell-based format
CHEMBL69856 OBDepict H 2 N HN NH H N H O N O H N O F IC50 = 230.0 nM 534.64 N=C(N)NCCC[C@H]1NC(=O)N([C@H](Cc2ccc(F)cc2)C(=O)N2CCC3(CCc4ccccc43)CC2)C1=O Homo sapiens CHEMBL652979 assay format
CHEMBL470384 OBDepict H 3 C O O N O CH 3 H 3 C S O O IC50 = 290.0 nM 445.58 COC(=O)C(CC(C)C)N(C(=O)c1csc2ccccc12)C1CCC2(CC1)OCCO2 Homo sapiens CHEMBL1008821 cell-based format
CHEMBL604277 OBDepict CH 2 N S O O H 3 C N S O O H 3 C H 2 C IC50 = 300.0 nM 496.65 C=CCN(c1ccccc1N(CC=C)S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 Homo sapiens CHEMBL1072544 cell-based format
CHEMBL432533 OBDepict H 2 N NH NH H N H O N O H N O IC50 = 300.0 nM 536.72 N=C(N)NCCCC[C@H]1NC(=O)N([C@H](CC2CCCCC2)C(=O)N2CCC3(CCc4ccccc43)CC2)C1=O Homo sapiens CHEMBL652979 assay format
CHEMBL513055 OBDepict Cl N O S O O IC50 = 300.0 nM 456.01 O=C(c1csc2ccccc12)N(CCc1ccccc1Cl)C1CCC2(CC1)OCCO2 Homo sapiens CHEMBL1008821 cell-based format
CHEMBL421108 OBDepict H 2 N HN NH H N H O N O H N O IC50 = 300.0 nM 520.68 N=C(N)NCCC[C@H]1NC(=O)N([C@H](CC2CCCCC2)C(=O)N2CCC3(C=Cc4ccccc43)CC2)C1=O Homo sapiens CHEMBL652979 assay format
CHEMBL459090 OBDepict Cl N N S O O IC50 = 325.0 nM 424.95 Clc1cccc2nc(-c3csc4ccccc34)n(C3CCC4(CC3)OCCO4)c12 Homo sapiens CHEMBL1019502 cell-based format
CHEMBL519401 OBDepict Cl N O S N O F F IC50 = 330.0 nM 553.07 O=C(Cc1ccc(F)cc1F)N1CCC(N(CCc2ccc(Cl)cc2)C(=O)c2csc3ccccc23)CC1 Homo sapiens CHEMBL1008821 cell-based format
CHEMBL456250 OBDepict H 3 C N O O OH O O Cl IC50 = 350.0 nM 471.98 CCc1ccccc1C(=O)N(C1CCC2(CC1)OCCO2)C(Cc1ccc(Cl)cc1)C(=O)O Homo sapiens CHEMBL1019502 cell-based format
CHEMBL486971 OBDepict O N O S Cl IC50 = 350.0 nM 411.95 O=C1CCC(N(CCc2ccc(Cl)cc2)C(=O)c2csc3ccccc23)CC1 Homo sapiens CHEMBL1008821 cell-based format
CHEMBL408458 OBDepict CH 3 O N N CH 3 Ki = 370.0 nM 458.61 CCN(c1cccc2ccccc12)C1CCCc2nc(-c3cccc4ccccc34)cc(OC)c21 Homo sapiens CHEMBL923542 cell-based format
CHEMBL519705 OBDepict Cl N O S IC50 = 370.0 nM 405.95 O=C(c1csc2ccccc12)N(CCc1ccc(Cl)cc1)Cc1ccccc1 Homo sapiens CHEMBL1008821 cell-based format
CHEMBL511613 OBDepict O N S O O IC50 = 395.0 nM 407.54 O=C(c1csc2ccccc12)N(Cc1ccccc1)C1CCC2(CC1)OCCO2 Homo sapiens CHEMBL1008821 cell-based format
CHEMBL513247 OBDepict Cl N O N O O IC50 = 400.0 nM 450.97 O=C(c1cncc2ccccc12)N(CCc1ccc(Cl)cc1)C1CCC2(CC1)OCCO2 Homo sapiens CHEMBL1008821 cell-based format
CHEMBL469528 OBDepict Cl O N O S O O IC50 = 435.0 nM 472.01 O=C(c1csc2ccccc12)N(CCOc1ccc(Cl)cc1)C1CCC2(CC1)OCCO2 Homo sapiens CHEMBL1008821 cell-based format
CHEMBL66454 OBDepict CH 3 H 3 C N H N O O N H O H N NH 2 H 2 N IC50 = 450.0 nM 482.63 CC(C)C[C@H](C(=O)N1CCC2(CCc3ccccc32)CC1)N1C(=O)N[C@H](CCCN=C(N)N)C1=O Homo sapiens CHEMBL652979 assay format
CHEMBL303711 OBDepict H 2 N HN NH H NH O N O H N O N H IC50 = 450.0 nM 555.68 N=C(N)NCCC[C@H]1NC(=O)N([C@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC3(CCc4ccccc43)CC2)C1=O Homo sapiens CHEMBL652979 assay format
CHEMBL468626 OBDepict H 3 C N CH 3 N O O O Cl IC50 = 500.0 nM 457.01 CN(C)Cc1ccccc1C(=O)N(CCc1ccc(Cl)cc1)C1CCC2(CC1)OCCO2 Homo sapiens CHEMBL1019502 cell-based format
CHEMBL456053 OBDepict Cl N N S O O IC50 = 500.0 nM 465.02 Clc1ccc(Cc2cnc(-c3csc4ccccc34)n2C2CCC3(CC2)OCCO3)cc1 Homo sapiens CHEMBL1019502 cell-based format
CHEMBL410927 OBDepict CH 3 O N N CH 3 CH 3 H 3 C Ki = 680.0 nM 400.57 CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2N(C)c1ccccc1 Homo sapiens CHEMBL923542 cell-based format
CHEMBL459092 OBDepict Cl Cl N N S O O IC50 = 790.0 nM 459.4 Clc1ccc2nc(-c3csc4ccccc34)n(C3CCC4(CC3)OCCO4)c2c1Cl Homo sapiens CHEMBL1019502 cell-based format
CHEMBL71841 OBDepict H 2 N HN NH H N H O N O H N O IC50 = 800.0 nM 516.65 N=C(N)NCCC[C@H]1NC(=O)N([C@H](Cc2ccccc2)C(=O)N2CCC3(CCc4ccccc43)CC2)C1=O Homo sapiens CHEMBL652979 assay format
CHEMBL520381 OBDepict H 3 C O CH 3 N N O O O Cl IC50 = 835.0 nM 458.99 CC(C)Oc1ncccc1C(=O)N(CCc1ccc(Cl)cc1)C1CCC2(CC1)OCCO2 Homo sapiens CHEMBL1008821 cell-based format
CHEMBL431584 OBDepict H 2 N N H HN H N H O N O H N O IC50 = 900.0 nM 592.74 N=C(N)NCCC[C@H]1NC(=O)N([C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N2CCC3(CCc4ccccc43)CC2)C1=O Homo sapiens CHEMBL651507 assay format
CHEMBL486959 OBDepict CH 3 O N N O Cl IC50 = 1000.0 nM 491.08 COc1ccc(CCCN2CCC(N(CCc3ccc(Cl)cc3)C(=O)c3ccccc3)CC2)cc1 Homo sapiens CHEMBL1008821 cell-based format
CHEMBL173442 OBDepict CH 3 N HN NH 2 O IC50 = 1000.0 nM 351.49 C/N=C(/N)Nc1ccc(OCCC2CCCCC2)c(-c2ccccc2)c1 Homo sapiens CHEMBL655461 cell-based format
CHEMBL528767 OBDepict H 3 C O N O O O Cl IC50 = 1000.0 nM 429.94 COc1cccc(C(=O)N(CCc2ccc(Cl)cc2)C2CCC3(CC2)OCCO3)c1 Homo sapiens CHEMBL1008821 cell-based format
CHEMBL69007 OBDepict H 2 N HN NH H NH O N O H N O N IC50 = 1000.0 nM 497.64 N=C(N)NCCC[C@H]1NC(=O)N([C@H](CC2CCCCC2)C(=O)N2CCN(c3ccccc3)CC2)C1=O Homo sapiens CHEMBL652979 assay format
CHEMBL173394 OBDepict CH 3 N HN NH 2 O IC50 = 1000.0 nM 359.47 C/N=C(/N)Nc1ccc(OCCCc2ccccc2)c(-c2ccccc2)c1 Homo sapiens CHEMBL655461 cell-based format