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 B0CM3V Tyr-Ser-Phe-Lys-Asp-Met-Pro-Leu-D-Ala-Arg Investigative 10351393 C56H86N14O15S 1227.4 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]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 = 57700 nM Poor binder T15439 C5a anaphylatoxin chemotactic receptor B2G1FE 1,4-Ditosylpiperazine Investigative 235632 C18H22N2O4S2 394.5 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C IC50 ~ 60000 nM Poor binder T15439 C5a anaphylatoxin chemotactic receptor B2LF1D Ac-His-lys-asp-met-gln-leu-gly-arg-OH Investigative 131577 C42H71N15O13S 1026.2 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)NC(=O)C Ki = 150000 nM Poor binder T15439 C5a anaphylatoxin chemotactic receptor B5R3WQ Tyr-Ser-Phe-Lys-Asp-Met-Pro-Leu-Phe-Arg Investigative 10102925 C62H90N14O15S 1303.5 CC(C)C[C@@H](C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCSC)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 EC50 = 114000 nM Poor binder T15439 C5a anaphylatoxin chemotactic receptor B5YF8L N-(2-Acetylphenyl)-N,4-dimethylbenzenesulfonamide Investigative 12473171 C16H17NO3S 303.4 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2C(=O)C EC50 ~ 60000 nM Poor binder T15439 C5a anaphylatoxin chemotactic receptor B6XAT4 Ac-Phe-[Orn-Pro-ala-Trp-Arg] Investigative 10463109 C41H55N11O7 813.9 C[C@@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)NCCC[C@@H](C(=O)N2CCC[C@H]2C(=O)N1)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)C)CCCN=C(N)N)CC4=CNC5=CC=CC=C54 IC50 = 55000 nM Poor binder T15439 C5a anaphylatoxin chemotactic receptor B78UWM N-(2-Benzoyl-4-chlorophenyl)-N,4-dimethylbenzenesulfonamide Investigative 1379975 C21H18ClNO3S 399.9 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3 EC50 ~ 60000 nM Poor binder T15439 C5a anaphylatoxin chemotactic receptor B9NL2G N-(2-Benzoyl-4-bromophenyl)-N,4-dimethylbenzenesulfonamide Investigative 1351023 C21H18BrNO3S 444.3 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=C3 EC50 ~ 60000 nM Poor binder T15439 C5a anaphylatoxin chemotactic receptor BAF1T3 Tyr-Ser-Phe-Lys-Asp-Ala-Pro-Leu-Ala-Arg Investigative 10464003 C54H82N14O15 1167.3 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]1CCCN1C(=O)[C@H](C)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 = 114000 nM Poor binder T15439 C5a anaphylatoxin chemotactic receptor BBOI90 N,N''-(Propane-1,3-diyl)bis(4-methyl-N-phenylbenzenesulfonamide) Investigative 46225393 C29H30N2O4S2 534.7 CC1=CC=C(C=C1)S(=O)(=O)N(CCCN(C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4 IC50 ~ 60000 nM Poor binder T15439 C5a anaphylatoxin chemotactic receptor BDCR74 H-DPhe-Lys-AspMet-GIn-Leu-Gly-Arg-OH Investigative 44353083 C43H71N13O12S 994.2 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=CC=CC=C1)N Ki = 79000 nM Poor binder T15439 C5a anaphylatoxin chemotactic receptor BE29PY Tyr-Ser-Phe-Lys-Gly-Met-Leu-Leu-Gly-Arg Investigative 10464012 C54H86N14O13S 1171.4 CC(C)C[C@@H](C(=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](CCSC)NC(=O)CNC(=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 = 70000 nM Poor binder T15439 C5a anaphylatoxin chemotactic receptor BF50DU N-(2-(Indoline-1-carbonyl)phenyl)-N,4-dimethylbenzenesulfonamide Investigative 17615045 C23H22N2O3S 406.5 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2C(=O)N3CCC4=CC=CC=C43 EC50 ~ 60000 nM Poor binder T15439 C5a anaphylatoxin chemotactic receptor BGZB76 H-His(1Me)-Lys-AspMet-GIn-Leu-Gly-Arg-OH Investigative 44353181 C41H71N15O12S 998.2 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=CN1C)N Ki = 180000 nM Poor binder T15439 C5a anaphylatoxin chemotactic receptor BIQD63 Tyr-Ser-Phe-Lys-Asp-Met-Pro-Pro-Gly-Arg Investigative 10441364 C54H80N14O15S 1197.4 CSCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=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](CC3=CC=CC=C3)NC(=O)[C@H](CO)NC(=O)[C@H](CC4=CC=C(C=C4)O)N EC50 = 50000 nM Poor binder T15439 C5a anaphylatoxin chemotactic receptor BJ4W0L N,4-Dimethyl-N-(2-(thiophene-3-carbonyl)phenyl)benzenesulfonamide Investigative 46225413 C19H17NO3S2 371.5 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2C(=O)C3=CSC=C3 EC50 ~ 60000 nM Poor binder T15439 C5a anaphylatoxin chemotactic receptor BJSW15 N-(6-Benzyloxy-4''-methoxy-biphenyl-3-yl)-N''-methyl-guanidine Investigative 44383557 C22H23N3O2 361.4 CN=C(N)NC1=CC(=C(C=C1)OCC2=CC=CC=C2)C3=CC=C(C=C3)OC IC50 = 54000 nM Poor binder T15439 C5a anaphylatoxin chemotactic receptor BL90FC (Tyr65,Phe67)-C5a (65-74) (human) Investigative 10396578 C55H85N15O16S 1244.4 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=CC=CC=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC2=CC=C(C=C2)O)N EC50 = 50000 nM Poor binder T15439 C5a anaphylatoxin chemotactic receptor BM2N3X Ile-Ser-Phe-Lys-Asp-Met-Gln-Leu-Gly-Arg Investigative 10374115 C52H87N15O15S 1194.4 CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=CC=C1)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 EC50 = 67700 nM Poor binder T15439 C5a anaphylatoxin chemotactic receptor BMUZ29 Ac-Phe-[Orn-Pro-cha-Ala-Arg] Investigative 44417205 C39H60N10O7 781 C[C@H]1C(=O)N[C@H](C(=O)NCCC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(=O)N1)CC3CCCCC3)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)C)CCCN=C(N)N IC50 = 100000 nM Poor binder T15439 C5a anaphylatoxin chemotactic receptor BN1GJ3 Methyl{2-[methyl(phenylsulfonyl)amino]phenyl}(phenylsulfonyl)amine Investigative 1250946 C20H20N2O4S2 416.5 CN(C1=CC=CC=C1N(C)S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 EC50 ~ 60000 nM Poor binder T15439 C5a anaphylatoxin chemotactic receptor BPG3R2 Ac-L-Phe-L-Lys-L-Pro-3-Cyclohexyl-D-Ala-3-(9H-fluorene-9alpha-yl)-L-Ala-D-Arg-OH Investigative 10653515 C53H72N10O8 977.2 CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@H](CC3CCCCC3)C(=O)N[C@@H](CC4C5=CC=CC=C5C6=CC=CC=C46)C(=O)N[C@H](CCCN=C(N)N)C(=O)O IC50 = 51000 nM Poor binder T15439 C5a anaphylatoxin chemotactic receptor BR6A5E 2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionylamino]-6-amino-hexanoylamino}-3-carboxy-propionylamino)-4-methylsulfanyl-butyrylamino]-4-carbamoyl-butyrylamino}-4-methyl-pentanoylamino)-acetylamino]-5-guanidino-pentanoic acid Investigative 73354472 C42H71N15O13S 1026.2 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)NC(=O)C Ki = 150000 nM Poor binder T15439 C5a anaphylatoxin chemotactic receptor BT03FR N-(6-Benzyloxy-4''-chloro-biphenyl-3-yl)-N''-methyl-guanidine Investigative 44383043 C21H20ClN3O 365.9 CN=C(N)NC1=CC(=C(C=C1)OCC2=CC=CC=C2)C3=CC=C(C=C3)Cl IC50 = 50000 nM Poor binder T15439 C5a anaphylatoxin chemotactic receptor BT8NA6 N-(3,4-Bis-benzyloxy-phenyl)-guanidine Investigative 12253728 C21H21N3O2 347.4 C1=CC=C(C=C1)COC2=C(C=C(C=C2)N=C(N)N)OCC3=CC=CC=C3 IC50 ~ 100000 nM Poor binder T15439 C5a anaphylatoxin chemotactic receptor BUS3G6 Ac-Ile-Ser-His-Lys-Asp-Met-Gln-Leu-Arg-Gly-Arg Investigative 44305625 C57H99N21O17S 1382.6 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)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)C Ki = 100000 nM Poor binder T15439 C5a anaphylatoxin chemotactic receptor BV9M2U (S)-2-[(S)-2-[(S)-2-({(S)-1-[(S)-6-Amino-2-((S)-2-methylamino-3-phenyl-propionylamino)-hexanoyl]-pyrrolidine-2-carbonyl}-amino)-4-methyl-pentanoylamino]-3-(1H-indol-3-yl)-propionylamino]-5-guanidino-pentanoic acid Investigative 10557548 C44H65N11O7 860.1 CC(C)C[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)[C@H](CC4=CC=CC=C4)NC IC50 = 144000 nM Poor binder T15439 C5a anaphylatoxin chemotactic receptor BVD13P Tyr-Ser-Phe-Lys-Asp-Met-Pro-Leu-Gly-Arg Investigative 10441383 C55H84N14O15S 1213.4 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](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 = 80000 nM Poor binder T15439 C5a anaphylatoxin chemotactic receptor BVR7U1 5,12-Ditosyl-5,6,11,12-tetrahydrodibenzo[b,f][1,4]diazocine Investigative 46225392 C28H26N2O4S2 518.7 CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CN(C4=CC=CC=C42)S(=O)(=O)C5=CC=C(C=C5)C IC50 ~ 60000 nM Poor binder T15439 C5a anaphylatoxin chemotactic receptor BW3FE1 1,4-Ditosyl-1,2,3,4-tetrahydroquinoxaline Investigative 46225376 C22H22N2O4S2 442.6 CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)C EC50 ~ 60000 nM Poor binder T15439 C5a anaphylatoxin chemotactic receptor BWZ3I1 [(4-Methylphenyl)sulfonyl](2-{[(4-methylphenyl)sulfonyl]prop-2-enylamino}pheny l)prop-2-enylamine Investigative 3453336 C26H28N2O4S2 496.6 CC1=CC=C(C=C1)S(=O)(=O)N(CC=C)C2=CC=CC=C2N(CC=C)S(=O)(=O)C3=CC=C(C=C3)C EC50 ~ 60000 nM Poor binder T15439 C5a anaphylatoxin chemotactic receptor BZA14G n,n'-1,2-Phenylenebis(n,4-dimethylbenzenesulfonamide) Investigative 265219 C22H24N2O4S2 444.6 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2N(C)S(=O)(=O)C3=CC=C(C=C3)C EC50 ~ 60000 nM Poor binder