SEQ2FUN

BioLiP

PDB CCD ID: 6IP
Number of entries in BioLiP: 1
Chemical formula: C15 H15 N3
InChI: InChI=1S/C15H15N3/c16-15-3-1-2-13(18-15)7-5-11-4-6-12-8-9-17-14(12)10-11/h1-4,6,8-10,17H,5,7H2,(H2,16,18)
InChIKey: OSHSZKRWKLQZBV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(nc(c1)N)CCc2ccc3cc[nH]c3c2
CACTVS 3.341Nc1cccc(CCc2ccc3cc[nH]c3c2)n1
ACDLabs 10.04n1c(N)cccc1CCc2ccc3c(c2)ncc3
Name:6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-2-AMINE
ChEMBL: CHEMBL221118
DrugBank: DB07206
ZINC: ZINC000011525586
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).