A1A60

(2S)-3-(furan-3-yl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol

Created:	2024-09-16
Last modified:	2025-06-11

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1 entries where A1A60 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	1
Bond Count	35
Aromatic Bond Count	15

2D diagram of A1A60

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Chemical Component Summary
Name	(2S)-3-(furan-3-yl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
Systematic Name (OpenEye OEToolkits)	(2~{S})-3-(furan-3-yl)-2-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-ylamino)propan-1-ol
Formula	C₁₃ H₁₄ N₄ O₂
Molecular Weight	258.276
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	OCC(Nc1ncnc2[NH]ccc12)Cc1ccoc1
SMILES	CACTVS	3.385	OC[CH](Cc1cocc1)Nc2ncnc3[nH]ccc23
SMILES	OpenEye OEToolkits	3.1.0.0	c1c[nH]c2c1c(ncn2)NC(Cc3ccoc3)CO
Canonical SMILES	CACTVS	3.385	OC[C@H](Cc1cocc1)Nc2ncnc3[nH]ccc23
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	c1c[nH]c2c1c(ncn2)N[C@@H](Cc3ccoc3)CO
InChI	InChI	1.06	InChI=1S/C13H14N4O2/c18-6-10(5-9-2-4-19-7-9)17-13-11-1-3-14-12(11)15-8-16-13/h1-4,7-8,10,18H,5-6H2,(H2,14,15,16,17)/t10-/m0/s1
InChIKey	InChI	1.06	DRRISQDXFXMSDV-JTQLQIEISA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.