List of Ligand

No Ligand ID Drug Group Generic Name MW Edit Smile
26301 HTB3906 SYNTHETIC MSV-HDP-02_GU 430.39 NC1=C(C#N)C(/C=C/C2=CC=CC=C2)C(C=NN3C4=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C4)=C3O1
26302 HTB3907 SYNTHETIC MSV-HDP-03_GU 438.79 NC1=C(C#N)C(C2=CC=CC(Cl)=C2)C(C=NN3C4=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C4)=C3O1
26303 HTB3908 SYNTHETIC MSV-HDP-04_GU 464.40 NC1=C(C#N)C(C2=CC(OC)=CC=C2OC)C(C=NN3C4=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C4)=C3O1
26304 HTB3909 SYNTHETIC MSV-HDP-05_GU 438.79 NC1=C(C#N)C(C2=CC=CC=C2Cl)C(C=NN3C4=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C4)=C3O1
26305 HTB3910 SYNTHETIC MSV-HDP-06_GU 449.35 NC1=C(C#N)C(C2=CC=CC([N+]([O-])=O)=C2)C(C=NN3C4=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C4)=C3O1
26306 HTB3911 SYNTHETIC MSV-HDP-07_GU 449.35 NC1=C(C#N)C(C2=CC=CC=C2[N+]([O-])=O)C(C=NN3C4=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C4)=C3O1
26307 HTB3912 SYNTHETIC MSV-HDP-08_GU 394.31 NC1=C(C#N)C(C2=COC=C2)C(C=NN3C4=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C4)=C3O1
26308 HTB3913 SYNTHETIC MSV-HDP-09_GU 405.34 NC1=C(C#N)C(C2=CC=CC=N2)C(C=NN3C4=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C4)=C3O1
26309 HTB3914 SYNTHETIC MSV-HDP-10_GU 405.34 NC1=C(C#N)C(C2=CC=NC=C2)C(C=NN3C4=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C4)=C3O1
26310 HTB3915 SYNTHETIC MSV-HDP-11_GU 447.42 NC1=C(C#N)C(C2=CC=C(N(C)C)C=C2)C(C=NN3C4=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C4)=C3O1
26311 HTB3916 SYNTHETIC MSV-HDP-12_GU 494.43 NC1=C(C#N)C(C2=CC(OC)=C(OC)C(OC)=C2)C(C=NN3C4=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C4)=C3O1
26312 HTB3917 SYNTHETIC MSV-HDP-13_GU 422.34 NC1=C(C#N)C(C2=CC=C(F)C=C2)C(C=NN3C4=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C4)=C3O1
26313 HTB3918 SYNTHETIC MSV-HDP-14_GU 438.79 NC1=C(C#N)C(C2=CC=C(Cl)C=C2)C(C=NN3C4=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C4)=C3O1
26314 HTB3919 SYNTHETIC MSV-HDP-15_GU 429.36 NC1=C(C#N)C(C2=CC=C(C#N)C=C2)C(C=NN3C4=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C4)=C3O1
26315 HTB3920 SYNTHETIC MSV-HDP-16_GU 420.35 NC1=C(C#N)C(C2=CC=CC(O)=C2)C(C=NN3C4=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C4)=C3O1
26316 HTB3921 SYNTHETIC MSV-HDP-17_GU 483.24 NC1=C(C#N)C(C2=CC=C(Br)C=C2)C(C=NN3C4=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C4)=C3O1
26317 HTB3922 SYNTHETIC MSV-HDP-18_GU 499.24 NC1=C(C#N)C(C2=CC(Br)=CC=C2O)C(C=NN3C4=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C4)=C3O1
26318 HTB3923 SYNTHETIC MSV-HDP-19_GU 449.35 NC1=C(C#N)C(C2=CC=C([N+]([O-])=O)C=C2)C(C=NN3C4=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C4)=C3O1
26319 HTB3924 SYNTHETIC MSV-HDP-20_GU 464.40 NC1=C(C#N)C(C2=CC(OC)=C(OC)C=C2)C(C=NN3C4=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C4)=C3O1
26320 HTB3925 SYNTHETIC MSV-HDP-21_GU 450.37 NC1=C(C#N)C(C2=CC(OC)=C(O)C=C2)C(C=NN3C4=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C4)=C3O1
26321 HTB3926 SYNTHETIC MSV-HDP-22_GU 487.48 NC1=C(C#N)C(C2=CC=C(N3CCCCC3)C=C2)C(C=NN4C5=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C5)=C4O1
26322 HTB3927 SYNTHETIC MSV-HDP-23_GU 489.45 NC1=C(C#N)C(C2=CC=C(N3CCOCC3)C=C2)C(C=NN4C5=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C5)=C4O1
26323 HTB3928 SYNTHETIC MSV-HDP-24_GU 388.35 NC1=C(C#N)C(C2=CC=C([N+]([O-])=O)C=C2)C(C=NN3C(C4=CC=NC=C4)=O)=C3O1
26324 HTB3929 SYNTHETIC DJJ-HDP-01_GU 381.38 FC(C1=NN=C2CN(CC(CC3=NC4=CC=C([H])C=C4S3)=O)CCN21)(F)F
26325 HTB3930 SYNTHETIC DJJ-HDP-02_GU 416.82 FC(C1=NN=C2CN(CC(NC3=NC4=CC=C(Cl)C=C4S3)=O)CCN21)(F)F
26326 HTB3931 SYNTHETIC DJJ-HDP-03_GU 412.40 FC(C1=NN=C2CN(CC(NC3=NC4=CC=C(OC)C=C4S3)=O)CCN21)(F)F
26327 HTB3932 SYNTHETIC DJJ-HDP-04_GU 400.36 FC(C1=NN=C2CN(CC(NC3=NC4=CC=C(F)C=C4S3)=O)CCN21)(F)F
26328 HTB3933 SYNTHETIC DJJ-HDP-05_GU 398.37 FC(C1=NN=C2CN(CC(NC3=NC4=CC=C(O)C=C4S3)=O)CCN21)(F)F
26329 HTB3934 SYNTHETIC DJJ-HDP-06_GU 314.24 O=C(N(C1)CCN2C1=NN=C2C(F)(F)F)C3=CC=C(F)C=C3
26330 HTB3935 SYNTHETIC DJJ-HDP-07_GU 286.22 O=C(N(C1)CCN2C1=NN=C2C(F)(F)F)C3=CC=CO3
26331 HTB3936 SYNTHETIC DJJ-HDP-08_GU 310.28 O=C(N(C1)CCN2C1=NN=C2C(F)(F)F)C3=CC=C(C)C=C3
26332 HTB3937 SYNTHETIC DJJ-HDP-09_GU 332.31 O=S(C1=CC=CC=C1)(N(C2)CCN3C2=NN=C3C(F)(F)F)=O
26333 HTB3938 SYNTHETIC DJJ-HDP-10_GU 302.28 O=C(N(C1)CCN2C1=NN=C2C(F)(F)F)C3=CC=CS3
26334 HTB3939 SYNTHETIC MNB-HDP-01_GU 442.51 O=C(NNC(C1=CC=NC=C1)=O)C2=C(C)N=C3N(C4=CC=CC=C4S3)C2C5=CC=CC=N5
26335 HTB3940 SYNTHETIC MNB-HDP-02_GU 521.40 O=C(NNC(C1=CC=NC=C1)=O)C2=C(C)N=C3N(C4=CC=C(Br)C=C4S3)C2C5=CC=CC=N5
26336 HTB3941 SYNTHETIC MNB-HDP-03_GU 456.53 O=C(NNC(C1=CC=NC=C1)=O)C2=C(C)N=C3N(C4=CC=C(C)C=C4S3)C2C5=CC=CC=N5
26337 HTB3942 SYNTHETIC MNB-HDP-04_GU 456.53 O=C(NNC(C1=CC=NC=C1)=O)C2=C(C)N=C3N(C4=C(C)C=CC=C4S3)C2C5=CC=CC=N5
26338 HTB3943 SYNTHETIC MNB-HDP-05_GU 487.50 O=C(NNC(C1=CC=NC=C1)=O)C2=C(C)N=C3N(C4=CC=C([N+]([O-])=O)C=C4S3)C2C5=CC=CC=N5
26339 HTB3944 SYNTHETIC MNB-HDP-06_GU 476.95 O=C(NNC(C1=CC=NC=C1)=O)C2=C(C)N=C3N(C4=CC=C(Cl)C=C4S3)C2C5=CC=CC=N5
26340 HTB3945 SYNTHETIC MNB-HDP-07_GU 476.95 O=C(NNC(C1=CC=NC=C1)=O)C2=C(C)N=C3N(C4=C(Cl)C=CC=C4S3)C2C5=CC=CC=N5
26341 HTB3946 SYNTHETIC MNB-HDP-08_GU 460.50 O=C(NNC(C1=CC=NC=C1)=O)C2=C(C)N=C3N(C4=CC=C(F)C=C4S3)C2C5=CC=CC=N5
26342 HTB3947 SYNTHETIC MNB-HDP-09_GU 472.53 O=C(NNC(C1=CC=NC=C1)=O)C2=C(C)N=C3N(C4=CC=C(OC)C=C4S3)C2C5=CC=CC=N5
26343 HTB3948 SYNTHETIC MNB-HDP-10_GU 486.56 O=C(NNC(C1=CC=NC=C1)=O)C2=C(C)N=C3N(C4=CC=C(OCC)C=C4S3)C2C5=CC=CC=N5
26344 HTB3949 SYNTHETIC MNB-HDP-11_GU 526.50 O=C(NNC(C1=CC=NC=C1)=O)C2=C(C)N=C3N(C4=CC=C(OC(F)(F)F)C=C4S3)C2C5=CC=CC=N5
26345 HTB3950 SYNTHETIC MNB-HDP-12_GU 458.51 O=C(NNC(C1=CC=NC=C1)=O)C2=C(C)N=C3N(C4=CC=C(O)C=C4S3)C2C5=CC=CC=N5
26346 HTB3951 SYNTHETIC MNB-HDP-13_GU 472.53 O=C(NNC(C1=CC=NC=C1)=O)C2=C(C)N=C3N(C4=C(OC)C=CC=C4S3)C2C5=CC=CC=N5
26347 HTB3952 SYNTHETIC MNB-HDP-14_GU 470.56 O=C(NNC(C1=CC=NC=C1)=O)C2=C(C)N=C3N(C4=CC(C)=C(C)C=C4S3)C2C5=CC=CC=N5
26348 HTB3953 SYNTHETIC KPJ-HDP-06_GU 294.32 O=C(/N=C/C1=CC=CC=C1O)CN2C3=CC=CC=C3N=NC2
26349 HTB3954 SYNTHETIC PRS-HDP-02_GU 357.85 OC1=C(S(=O)(N)=O)C=C(SNC(C2=CC=CC=C2Cl)N3)C3=C1
26350 HTB3955 SYNTHETIC PRS-HDP-05_GU 357.85 OC1=C(S(=O)(N)=O)C=C(SNC(C2=CC=C(Cl)C=C2)N3)C3=C1
26351 HTB3956 SYNTHETIC AKB-HDP-06_GU 507.60 OC1=CC=CC=C1C2=NC3=CC=CC=C3N2C(NC4=CC=C(C5=NC6=C(C=CC=C6)N5)C=C4)C7=CC=CC=C7
26352 HTB3957 SYNTHETIC AKB-HDP-10_GU 445.53 OC1=CC=CC=C1C2=NC3=CC=CC=C3N2C(NC4=CC=C(C5=NC6=C(C=CC=C6)N5)C=C4)C
26353 HTB3958 SYNTHETIC AKB-HDP-07_GU 533.64 OC1=CC=CC=C1C2=NC3=CC=CC=C3N2C(NC4=CC=C(C5=NC6=C(C=CC=C6)N5)C=C4)/C=C/C7=CC=CC=C7
26354 HTB3959 SYNTHETIC AKB-HDP-08_GU 523.60 OC1=CC=CC=C1C2=NC3=CC=CC=C3N2C(NC4=CC=C(C5=NC6=C(C=CC=C6)N5)C=C4)C7=C(O)C=CC=C7
26355 HTB3960 SYNTHETIC AKB-HDP-09_GU 523.60 OC1=CC=CC=C1C2=NC3=CC=CC=C3N2C(NC4=CC=C(C5=NC6=C(C=CC=C6)N5)C=C4)C7=CC=C(O)C=C7
26356 HTB3961 SYNTHETIC KPJ-HDP-02_GU 304.35 O=C(/N=C/C=C/C1=CC=CC=C1)CN2C3=CC=CC=C3N=NC2
26357 HTB3962 SYNTHETIC KPJ-HDP-04_GU 294.32 O=C(/N=C/C1=CC=C(O)C=C1)CN2C3=CC=CC=C3N=NC2
26358 HTB3963 SYNTHETIC AKB-HDP- 02_GU 431.50 OC(C=C1)=CC=C1C(NC2=CC=C(C3=NC(C=CC=C4)=C4N3)C=C2)C5=NC6=CC=CC=C6N5
26359 HTB3964 SYNTHETIC AKB-HDP- 03_GU 441.54 C=CC(C=C1)=CC=C1C(NC2=CC=C(C3=NC(C=CC=C4)=C4N3)C=C2)C5=NC6=CC=CC=C6N5
26360 HTB3965 SYNTHETIC AKB-HDP- 04_GU 339.40 C12=CC=CC=C1NC(CNC3=CC=C(C4=NC(C=CC=C5)=C5N4)C=C3)=N2
26361 HTB3966 SYNTHETIC AKB-HDP- 05_GU 431.50 OC1=CC=CC=C1C(NC2=CC=C(C3=NC(C=CC=C4)=C4N3)C=C2)C5=NC6=CC=CC=C6N5
26362 HTB3967 SYNTHETIC AKB-HDP-01_GU 415.50 C12=CC=CC=C1NC(C(C3=CC=CC=C3)NC4=CC=C(C5=NC(C=CC=C6)=C6N5)C=C4)=N2
26363 HTB3968 SYNTHETIC MAB- HDP-01_GU 319.37 O=C(NCC1)C21OC3=CC=CC=C3C4N2N=C(C5=CC=CC=C5)C4
26364 HTB3969 SYNTHETIC MAB- HDP-02_GU 353.81 O=C(NCC1)C21OC3=CC=CC=C3C4N2N=C(C5=CC=C(Cl)C=C5)C4
26365 HTB3970 SYNTHETIC MAB- HDP-03_GU 398.26 O=C(NCC1)C21OC3=CC=CC=C3C4N2N=C(C5=CC=C(Br)C=C5)C4
26366 HTB3971 SYNTHETIC MAB- HDP-04_GU 334.38 O=C(NCC1)C21OC3=CC=CC=C3C4N2N=C(C5=CC=C(N)C=C5)C4
26367 HTB3972 SYNTHETIC MAB- HDP-05_GU 335.37 O=C(NCC1)C21OC3=CC=CC=C3C4N2N=C(C5=CC=C(O)C=C5)C4
26368 PRD_002214 inhibitor 6LU7_inhibitor 680.79 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)c1cc(C)on1)C(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)\C=C/C(=O)OCc3ccccc3

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