SEQ2FUN

BioLiP

PDB CCD ID: DR1
Number of entries in BioLiP: 0
Chemical formula: C16 H12 N2
InChI: InChI=1S/C16H12N2/c1-18-15-9-5-2-6-11(15)10-14-16(18)12-7-3-4-8-13(12)17-14/h2-10H,1H3
InChIKey: KURWKDDWCJELSV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Cn1c2ccccc2cc3nc4ccccc4c13
OpenEye OEToolkits 1.5.0Cn1c2ccccc2cc-3nc4ccccc4c13
ACDLabs 10.04N2=C1C(C=CC=C1)=C4C2=Cc3ccccc3N4C
Name:5-METHYL-5H-INDOLO[3,2-B]QUINOLINE;
CRYPTOLEPINE
ChEMBL: CHEMBL119096
ZINC: ZINC000000898100
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).