TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T15439 C5a anaphylatoxin chemotactic receptor B28RPC 2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionylamino]-6-amino-hexanoylamino}-3-carboxy-propionylamino)-3-phenyl-propionylamino]-3-phenyl-propionylamino}-3-phenyl-propionylamino)-propionylamino]-5-guanidino-pentanoic acid Investigative 15725949 C54H72N14O12 1109.2 C[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC4=CN=CN4)NC(=O)C Ki = 750000 nM Non binder T15439 C5a anaphylatoxin chemotactic receptor B61HMS 2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionylamino]-6-amino-hexanoylamino}-3-carboxy-propionylamino)-3-cyclohexyl-propionylamino]-3-cyclohexyl-propionylamino}-pentanoylamino)-propionylamino]-5-guanidino-pentanoic acid Investigative 118719096 C51H86N14O12 1087.3 C[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC1CCCCC1)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@H](CC(=O)O)NC(=O)C(CCCCN)NC(=O)[C@H](CC3=CN=CN3)NC(=O)C Ki = 600000 nM Non binder T15439 C5a anaphylatoxin chemotactic receptor B6FDW4 Tyr-Ser-Phe-Lys-Asp-Ala-Pro-Leu-Gly-Arg Investigative 10011515 C53H80N14O15 1153.3 C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CC=C(C=C3)O)N EC50 = 207000 nM Non binder T15439 C5a anaphylatoxin chemotactic receptor B6K8PW Tyr-Ser-Phe-Lys-Asp-Met-Pro-Ala-Gly-Arg Investigative 10418799 C52H78N14O15S 1171.3 C[C@@H](C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CC=C(C=C3)O)N EC50 = 215000 nM Non binder T15439 C5a anaphylatoxin chemotactic receptor BBL9D5 Tyr-Ser-Phe-Lys-Asp-Met-Gln-Leu-Ala-Arg Investigative 9989013 C56H87N15O16S 1258.4 C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC2=CC=C(C=C2)O)N EC50 = 1000000 nM Non binder T15439 C5a anaphylatoxin chemotactic receptor BBZY63 Tyr-Ser-Phe-Lys-Asp-Met-Gln-Leu-Pro-Arg Investigative 10464120 C58H89N15O16S 1284.5 CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CC=C(C=C3)O)N EC50 = 500000 nM Non binder T15439 C5a anaphylatoxin chemotactic receptor BEH47Q Ishkdmqlgr Investigative 44305325 C49H85N17O15S 1184.4 CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N Ki = 300000 nM Non binder T15439 C5a anaphylatoxin chemotactic receptor BL0MN2 (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-6-aminohexanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid Investigative 15725946 C44H76N14O12 993.2 CCCC[C@@H](C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCC)NC(=O)[C@H](CCCC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CN=CN1)NC(=O)C Ki = 210000 nM Non binder T15439 C5a anaphylatoxin chemotactic receptor BO0A5M Tyr-Ser-Phe-Lys-Asp-Cys-Pro-Leu-Cys-Arg Investigative 10260801 C54H82N14O15S2 1231.4 CC(C)C[C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CC=C(C=C3)O)N EC50 = 224000 nM Non binder T15439 C5a anaphylatoxin chemotactic receptor BQI20Z Tyr-Ser-Phe-Lys-Asp-Cys-Pro-Leu-Gly-Arg Investigative 10418817 C53H80N14O15S 1185.4 CC(C)C[C@@H](C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CC=C(C=C3)O)N EC50 > 1000000 nM Non binder T15439 C5a anaphylatoxin chemotactic receptor BRM9Y4 Tyr-Ser-Phe-Lys-Asp-Met-Pro-Ala-D-Ala-Arg Investigative 10374110 C53H80N14O15S 1185.4 C[C@@H](C(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CC=C(C=C3)O)N EC50 > 1000000 nM Non binder T15439 C5a anaphylatoxin chemotactic receptor BSD36N L-Ala-L-Lys-L-Pro-3-Cyclohexyl-D-Ala-L-Trp-D-Arg-OH Investigative 10819181 C40H63N11O7 810 C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC2CCCCC2)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@H](CCCN=C(N)N)C(=O)O)N IC50 > 1000000 nM Non binder T15439 C5a anaphylatoxin chemotactic receptor BT6MP5 H-His-Lys-AspMet-GIn-Leu-Gly-Arg-OH Investigative 44305324 C40H69N15O12S 984.1 CC(C)C[C@@H](C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CN=CN1)N Ki = 300000 nM Non binder T15439 C5a anaphylatoxin chemotactic receptor BYJ1E9 Tyr-Ser-Phe-Lys-Asp-cyclo[Cys-Pro-Leu-Cys]-Arg Investigative 44347020 C54H80N14O15S2 1229.4 CC(C)C[C@H]1C(=O)N[C@@H](CSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CO)NC(=O)[C@H](CC4=CC=C(C=C4)O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O EC50 = 500000 nM Non binder