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BioLiP

PDB CCD ID: C8C
Number of entries in BioLiP: 1
Chemical formula: C14 H14 N4 O
InChI: InChI=1S/C14H14N4O/c15-14-17-11(8-13(19)18-14)4-2-9-1-3-10-5-6-16-12(10)7-9/h1,3,5-8,16H,2,4H2,(H3,15,17,18,19)
InChIKey: VRAZIAJSKFRSIP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(cc2c1cc[nH]2)CCC3=CC(=O)NC(=N3)N
ACDLabs 10.04O=C1C=C(N=C(N)N1)CCc2ccc3c(c2)ncc3
CACTVS 3.341NC1=NC(=CC(=O)N1)CCc2ccc3cc[nH]c3c2
Name:2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-4(3H)-one
ChEMBL: CHEMBL236777
DrugBank: DB07535
ZINC: ZINC000028826876
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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