Approved Ligands

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  1. LatanoprostAcid, Agonist of FP receptor
    Cas#: 41639-83-2        Compound CID:  6441636
    Formula:  C23H34O5        Molecular Weight: 390.51
    IUPAC Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoic acid
    SMILES: C1C(C(C(C1O)CC=CCCCC(=O)O)CCC(CCC2=CC=CC=C2)O)O
    InChIKey: HNPFPERDNWXAGS-NFVOFSAMSA-N
    InChI: InChI=1S/C23H34O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,18-22,24-26H,2,7,10-16H2,(H,27,28)/b6-1-/t18-,19+,20+,21-,22+/m0/s1
    Synonyms: NCGC00165820-01 | ethynyitrimethylsilane | latanoprost (free acid form) | latanoprost-free acid | (Z)-7-[(1R,2R,3R,5S...
  2. Rucaparib, PARP 1, 2 and 3 inhibitor
    Cas#: 283173-50-2        Compound CID:  9931954
    Formula:  C19H18FN3O        Molecular Weight: 323.36
    IUPAC Name: 6-fluoro-2-[4-(methylaminomethyl)phenyl]-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one
    SMILES: CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2
    InChIKey: HMABYWSNWIZPAG-UHFFFAOYSA-N
    InChI: InChI=1S/C19H18FN3O/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24)
    Synonyms: Kinome_3180 | Rucaparib free base | 8-FLUORO-2-(4-((METHYLAMINO)METHYL)PHENYL)-4,5-DIHYDRO-1H-AZEPINO[5,4,3-CD]INDOL-...
  3. Tafluprost, Prostanoid FP receptor agonist
    Cas#: 209860-87-7        Compound CID:  9868491
    Formula:  C25H34F2O5        Molecular Weight: 452.53
    IUPAC Name: propan-2-yl (Z)-7-[(1R,2R,3R,5S)-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoate
    SMILES: CC(C)OC(=O)CCCC=CCC1C(CC(C1C=CC(COC2=CC=CC=C2)(F)F)O)O
    InChIKey: WSNODXPBBALQOF-VEJSHDCNSA-N
    InChI: InChI=1S/C25H34F2O5/c1-18(2)32-24(30)13-9-4-3-8-12-20-21(23(29)16-22(20)28)14-15-25(26,27)17-31-19-10-6-5-7-11-19/h3,5-8,10-11,14-15,18,20-23,28-29H,4,9,12-13,16-17H2,1-2H3/b8-3-,15-14+/t20-,21-,22+,23-/m1/s1
    Synonyms: AFP-168 | MK2452 | CHEBI:66899 | D06274 | Tafluprost (JAN/USAN/INN) | GTPL7451 | DE-118 | HMS3649F04 | TAFLUPROST [MA...
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