SEQ2FUN

BioLiP

PDB CCD ID: 1HP
Number of entries in BioLiP: 2
Chemical formula: C13 H12 N4 O
InChI: InChI=1S/C13H12N4O/c1-17-11-6-9(7-15-12(11)16-13(17)14)8-2-4-10(18)5-3-8/h2-7,18H,1H3,(H2,14,15,16)
InChIKey: UGJXOCBVCWTJFP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04n1cc(cc2c1nc(n2C)N)c3ccc(O)cc3
CACTVS 3.341Cn1c(N)nc2ncc(cc12)c3ccc(O)cc3
OpenEye OEToolkits 1.5.0Cn1c2cc(cnc2nc1N)c3ccc(cc3)O
Name:4-(2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl)phenol
DrugBank: DB06898
ZINC: ZINC000016052475
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).