Approved Ligands
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Famotidine, Histamine H2 receptor antagonistCas#: 76824-35-6 Compound CID: 5702160Formula: C8H15N7O2S3 Molecular Weight: 337.45IUPAC Name: 3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N'-sulfamoylpropanimidamideSMILES: C1=C(N=C(S1)N=C(N)N)CSCCC(=NS(=O)(=O)N)NInChIKey: XUFQPHANEAPEMJ-UHFFFAOYSA-NInChI: InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14)Synonyms: Dipsin | Famogard | Famovane | Nevofam | Pepdif | 4-14-00-00308 (Beilstein Handbook Reference) | Evatin | Famosan | P...
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Sildenafil, Inhibitor of ABCC5;Inhibitor of OATP1B3;Inhibitor of OATP2B1;Inhibitor of phosphodiesterase 5A;Inhibitor of phosphodiesterase 6CCas#: 139755-83-2 Compound CID: 135398744Formula: C22H30N6O4S Molecular Weight: 474.58IUPAC Name: 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-oneSMILES: CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)CInChIKey: BNRNXUUZRGQAQC-UHFFFAOYSA-NInChI: InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)Synonyms: SMR004703325 | Sildenafil- Bio-X | DTXCID003579 | G04BE03 | HSDB 7305 | Spectrum3_001892 | UK-92480 | sildenafilum | ...
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Erlotinib, Inhibitor of epidermal growth factor receptor;Inhibitor of OATP2B1Cas#: 183321-74-6 Compound CID: 176870Formula: C22H23N3O4 Molecular Weight: 393.44IUPAC Name: N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amineSMILES: COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOCInChIKey: AAKJLRGGTJKAMG-UHFFFAOYSA-NInChI: InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)Synonyms: R 1415 | Kinome_3317 | n-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-4-quinazolinamine monohydrochloride | Tox21_30121...
