CD molecules (ligands)
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CD38 inhibitor 2Cas#: 2597933-78-1Formula: C19H24N6O3 Molecular Weight: 384.43SMILES: COCCO[C@H](CC1)CC[C@H]1NC(C2=C3C(C=CN3)=NC(N4C=CN=C4)=N2)=O
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OP-5244Cas#: 2381268-71-7Formula: C19H29ClN5O9P Molecular Weight: 537.89SMILES: O[C@H]1[C@@H](O)[C@H](N2N=CC3=C(NC4CCCC4)N=C(Cl)N=C32)O[C@@H]1CO[C@]([P](O)(O)=O)(COC)CO
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CD80-IN-3Cas#: 486449-65-4 Compound CID: 644103Formula: C17H10FN3O3 Molecular Weight: 323.28IUPAC Name: 4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzoic acidSMILES: C1=CC2=C3C(=CN=C2C(=C1)F)C(=O)N(N3)C4=CC=C(C=C4)C(=O)OInChIKey: NLGJRBLPUVEYKC-UHFFFAOYSA-NInChI: InChI=1S/C17H10FN3O3/c18-13-3-1-2-11-14-12(8-19-15(11)13)16(22)21(20-14)10-6-4-9(5-7-10)17(23)24/h1-8,20H,(H,23,24)Synonyms: LBEWFVRAHKOLOU-UHFFFAOYSA-N | CD80-IN-3 | benzoic acid, 4-(6-fluoro-3,5-dihydro-3-oxo-2H-pyrazolo[4,3-c]quinolin-2-yl...
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RBN013209Cas#: 2597933-17-8Formula: C19H24N6O3 Molecular Weight: 384.43SMILES: COCCO[C@@H](CC1)CC[C@H]1NC(C2=C3C(C=CN3)=NC(N4C=CN=C4)=N2)=O
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MK-0159Cas#: 2641484-61-7Formula: C20H24N4O3S Molecular Weight: 400.49SMILES: O=C(C1=C2C(NC=C2)=NC(C3=CN=CS3)=C1)N[C@H]4CC[C@H](OCCOC)CC4
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CD80-IN-3Cas#: 486449-65-4(DMSO)Formula: C17H10FN3O3 Molecular Weight: 323.28SMILES: C1=CC2=C3C(=CN=C2C(=C1)F)C(=O)N(N3)C4=CC=C(C=C4)C(=O)O
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OP-5244 sodiumFormula: C19H28ClN5NaO9P Molecular Weight: 559.87SMILES: O[C@H]1[C@@H](O)[C@H](N2N=CC3=C(NC4CCCC4)N=C(Cl)N=C32)O[C@@H]1CO[C@]([P](O)(O[Na])=O)(COC)CO
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PSB-12379Cas#: 1802226-78-3 Compound CID: 122207761Formula: C18H23N5O9P2 Molecular Weight: 515.35IUPAC Name: [[(2R,3S,4R,5R)-5-[6-(benzylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acidSMILES: C1=CC=C(C=C1)CNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)COP(=O)(CP(=O)(O)O)O)O)OInChIKey: DMBYYIJBPDWQFF-SCFUHWHPSA-NInChI: InChI=1S/C18H23N5O9P2/c24-14-12(7-31-34(29,30)10-33(26,27)28)32-18(15(14)25)23-9-22-13-16(20-8-21-17(13)23)19-6-11-4-2-1-3-5-11/h1-5,8-9,12,14-15,18,24-25H,6-7,10H2,(H,29,30)(H,19,20,21)(H2,26,27,28)/t12-,14-,15-,18-/m1/s1
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MethADP triammoniumFormula: C11H26N8O9P2 Molecular Weight: 476.32SMILES: O[C@@H]1[C@H](O)[C@@H](COP(O)(CP(O)(O)=O)=O)O[C@H]1N2C=NC3=C2N=CN=C3N.N.N.N
