SEQ2FUN

BioLiP

PDB CCD ID: V5T
Number of entries in BioLiP: 1
Chemical formula: C12 H10 N4
InChI: InChI=1S/C12H10N4/c13-12-14-6-5-11(16-12)9-7-15-10-4-2-1-3-8(9)10/h1-7,15H,(H2,13,14,16)
InChIKey: QNMZWFNNJMGJPU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)c(c[nH]2)c3ccnc(n3)N
CACTVS 3.385Nc1nccc(n1)c2c[nH]c3ccccc23
Name:4-(1~{H}-indol-3-yl)pyrimidin-2-amine
ChEMBL: CHEMBL48082
ZINC: ZINC000001864765

Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).