SEQ2FUN

BioLiP

PDB CCD ID: HGF
Number of entries in BioLiP: 1
Chemical formula: C22 H20 N4 O3
InChI: InChI=1S/C22H20N4O3/c1-28-6-7-29-15-8-14(10-23-12-15)19-9-17-13(11-25-19)2-3-16-20-18(26-21(16)17)4-5-24-22(20)27/h2-3,8-12,26H,4-7H2,1H3,(H,24,27)
InChIKey: ZYTDQGRQFPNBGA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C2c1c3c(nc1CCN2)c5c(cc3)cnc(c4cc(OCCOC)cnc4)c5
CACTVS 3.370COCCOc1cncc(c1)c2cc3c4[nH]c5CCNC(=O)c5c4ccc3cn2
OpenEye OEToolkits 1.7.0COCCOc1cc(cnc1)c2cc3c(ccc4c3[nH]c5c4C(=O)NCC5)cn2
Name:2-[5-(2-methoxyethoxy)pyridin-3-yl]-8,9,10,11-tetrahydro-7H-pyrido[3',4':4,5]pyrrolo[2,3-f]isoquinolin-7-one
ChEMBL: CHEMBL1614995
ZINC: ZINC000064744267
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).